Disodium Tetracarbonylferrate Synthesis Essay

1. Jmol – Jmol is computer software for molecular modelling chemical structures in 3-dimensions. Jmol returns a 3D representation of a molecule that may be used as a teaching tool and it is written in the programming language Java, so it can run on the operating systems Windows, macOS, Linux, and Unix, if Java is installed. It is free and open-source software released under a GNU Lesser General Public License version 2.0, a standalone application and a software development kit exist that can be integrated into other Java applications, such as Bioclipse and Taverna. A popular feature is an applet that can be integrated into web pages to display molecules in a variety of ways, for example, molecules can be displayed as ball-and-stick models, space-filling models, ribbon diagrams, etc. Jmol supports a range of chemical file formats, including Protein Data Bank, Crystallographic Information File, MDL Molfile. There is also a JavaScript-only version, JSmol, that can be used on computers with no Java, the Jmol applet, among other abilities, offers an alternative to the Chime plug-in, which is no longer under active development. While Jmol has many features that Chime lacks, it does not claim to reproduce all Chime functions, most notably, Chime requires plug-in installation and Internet Explorer 6.0 or Firefox 2.0 on Microsoft Windows, or Netscape Communicator 4.8 on Mac OS9. Jmol requires Java installation and operates on a variety of platforms. For example, Jmol is fully functional in Mozilla Firefox, Internet Explorer, Opera, Google Chrome, fast and Scriptable Molecular Graphics in Web Browsers without Java3D

2. European Chemicals Agency – ECHA is the driving force among regulatory authorities in implementing the EUs chemicals legislation. ECHA helps companies to comply with the legislation, advances the safe use of chemicals, provides information on chemicals and it is located in Helsinki, Finland. The Agency, headed by Executive Director Geert Dancet, started working on 1 June 2007, the REACH Regulation requires companies to provide information on the hazards, risks and safe use of chemical substances that they manufacture or import. Companies register this information with ECHA and it is freely available on their website. So far, thousands of the most hazardous and the most commonly used substances have been registered, the information is technical but gives detail on the impact of each chemical on people and the environment. This also gives European consumers the right to ask whether the goods they buy contain dangerous substances. The Classification, Labelling and Packaging Regulation introduces a globally harmonised system for classifying and labelling chemicals into the EU. This worldwide system makes it easier for workers and consumers to know the effects of chemicals, companies need to notify ECHA of the classification and labelling of their chemicals. So far, ECHA has received over 5 million notifications for more than 100000 substances, the information is freely available on their website. Consumers can check chemicals in the products they use, Biocidal products include, for example, insect repellents and disinfectants used in hospitals. The Biocidal Products Regulation ensures that there is information about these products so that consumers can use them safely. ECHA is responsible for implementing the regulation, the law on Prior Informed Consent sets guidelines for the export and import of hazardous chemicals. Through this mechanism, countries due to hazardous chemicals are informed in advance and have the possibility of rejecting their import. Substances that may have effects on human health and the environment are identified as Substances of Very High Concern 1. These are mainly substances which cause cancer, mutation or are toxic to reproduction as well as substances which persist in the body or the environment, other substances considered as SVHCs include, for example, endocrine disrupting chemicals. Companies manufacturing or importing articles containing these substances in a concentration above 0 and they are required to inform users about the presence of the substance and therefore how to use it safely. Consumers have the right to ask the retailer whether these substances are present in the products they buy, once a substance has been officially identified in the EU as being of very high concern, it will be added to a list. This list is available on ECHA’s website and shows consumers and industry which chemicals are identified as SVHCs, Substances placed on the Candidate List can then move to another list

3. PubChem – PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information, a component of the National Library of Medicine, PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be downloaded via FTP. PubChem contains substance descriptions and small molecules with fewer than 1000 atoms and 1000 bonds, more than 80 database vendors contribute to the growing PubChem database. PubChem consists of three dynamically growing primary databases, as of 28 January 2016, Compounds,82.6 million entries, contains pure and characterized chemical compounds. Substances,198 million entries, contains also mixtures, extracts, complexes, bioAssay, bioactivity results from 1.1 million high-throughput screening programs with several million values. PubChem contains its own online molecule editor with SMILES/SMARTS and InChI support that allows the import and export of all common chemical file formats to search for structures and fragments. In the text search form the database fields can be searched by adding the name in square brackets to the search term. A numeric range is represented by two separated by a colon. The search terms and field names are case-insensitive, parentheses and the logical operators AND, OR, and NOT can be used. AND is assumed if no operator is used, example,0,5000,50,10 -5,5 PubChem was released in 2004. The American Chemical Society has raised concerns about the publicly supported PubChem database and they have a strong interest in the issue since the Chemical Abstracts Service generates a large percentage of the societys revenue. To advocate their position against the PubChem database, ACS has actively lobbied the US Congress, soon after PubChems creation, the American Chemical Society lobbied U. S. Congress to restrict the operation of PubChem, which they asserted competes with their Chemical Abstracts Service

4. International Chemical Identifier – Initially developed by IUPAC and NIST from 2000 to 2005, the format and algorithms are non-proprietary. The continuing development of the standard has supported since 2010 by the not-for-profit InChI Trust. The current version is 1.04 and was released in September 2011, prior to 1.04, the software was freely available under the open source LGPL license, but it now uses a custom license called IUPAC-InChI Trust License. Not all layers have to be provided, for instance, the layer can be omitted if that type of information is not relevant to the particular application. InChIs can thus be seen as akin to a general and extremely formalized version of IUPAC names and they can express more information than the simpler SMILES notation and differ in that every structure has a unique InChI string, which is important in database applications. Information about the 3-dimensional coordinates of atoms is not represented in InChI, the InChI algorithm converts input structural information into a unique InChI identifier in a three-step process, normalization, canonicalization, and serialization. The InChIKey, sometimes referred to as a hashed InChI, is a fixed length condensed digital representation of the InChI that is not human-understandable. The InChIKey specification was released in September 2007 in order to facilitate web searches for chemical compounds and it should be noted that, unlike the InChI, the InChIKey is not unique, though collisions can be calculated to be very rare, they happen. In January 2009 the final 1.02 version of the InChI software was released and this provided a means to generate so called standard InChI, which does not allow for user selectable options in dealing with the stereochemistry and tautomeric layers of the InChI string. The standard InChIKey is then the hashed version of the standard InChI string, the standard InChI will simplify comparison of InChI strings and keys generated by different groups, and subsequently accessed via diverse sources such as databases and web resources. Every InChI starts with the string InChI= followed by the version number and this is followed by the letter S for standard InChIs. The remaining information is structured as a sequence of layers and sub-layers, the layers and sub-layers are separated by the delimiter / and start with a characteristic prefix letter. The six layers with important sublayers are, Main layer Chemical formula and this is the only sublayer that must occur in every InChI. The atoms in the formula are numbered in sequence, this sublayer describes which atoms are connected by bonds to which other ones. Describes how many hydrogen atoms are connected to each of the other atoms, the condensed,27 character standard InChIKey is a hashed version of the full standard InChI, designed to allow for easy web searches of chemical compounds. Most chemical structures on the Web up to 2007 have been represented as GIF files, the full InChI turned out to be too lengthy for easy searching, and therefore the InChIKey was developed. With all databases currently having below 50 million structures, such duplication appears unlikely at present, a recent study more extensively studies the collision rate finding that the experimental collision rate is in agreement with the theoretical expectations. Example, Morphine has the structure shown on the right, as the InChI cannot be reconstructed from the InChIKey, an InChIKey always needs to be linked to the original InChI to get back to the original structure

5. Simplified molecular-input line-entry system – The simplified molecular-input line-entry system is a specification in form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules, the original SMILES specification was initiated in the 1980s. It has since modified and extended. In 2007, a standard called OpenSMILES was developed in the open-source chemistry community. Other linear notations include the Wiswesser Line Notation, ROSDAL and SLN, the original SMILES specification was initiated by David Weininger at the USEPA Mid-Continent Ecology Division Laboratory in Duluth in the 1980s. The Environmental Protection Agency funded the project to develop SMILES. It has since modified and extended by others, most notably by Daylight Chemical Information Systems. In 2007, a standard called OpenSMILES was developed by the Blue Obelisk open-source chemistry community. Other linear notations include the Wiswesser Line Notation, ROSDAL and SLN, in July 2006, the IUPAC introduced the InChI as a standard for formula representation. SMILES is generally considered to have the advantage of being slightly more human-readable than InChI, the term SMILES refers to a line notation for encoding molecular structures and specific instances should strictly be called SMILES strings. However, the term SMILES is also used to refer to both a single SMILES string and a number of SMILES strings, the exact meaning is usually apparent from the context. The terms canonical and isomeric can lead to confusion when applied to SMILES. The terms describe different attributes of SMILES strings and are not mutually exclusive, typically, a number of equally valid SMILES strings can be written for a molecule. For example, CCO, OCC and CC all specify the structure of ethanol, algorithms have been developed to generate the same SMILES string for a given molecule, of the many possible strings, these algorithms choose only one of them. This SMILES is unique for each structure, although dependent on the algorithm used to generate it. These algorithms first convert the SMILES to a representation of the molecular structure. A common application of canonical SMILES is indexing and ensuring uniqueness of molecules in a database, there is currently no systematic comparison across commercial software to test if such flaws exist in those packages. SMILES notation allows the specification of configuration at tetrahedral centers, and these are structural features that cannot be specified by connectivity alone and SMILES which encode this information are termed isomeric SMILES

6. Chemical formula – These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula is not a name, and it contains no words. Although a chemical formula may imply certain simple chemical structures, it is not the same as a full chemical structural formula. Chemical formulas can fully specify the structure of only the simplest of molecules and chemical substances, the simplest types of chemical formulas are called empirical formulas, which use letters and numbers indicating the numerical proportions of atoms of each type. Molecular formulas indicate the numbers of each type of atom in a molecule. For example, the formula for glucose is CH2O, while its molecular formula is C6H12O6. This is possible if the relevant bonding is easy to show in one dimension, an example is the condensed molecular/chemical formula for ethanol, which is CH3-CH2-OH or CH3CH2OH. For reasons of structural complexity, there is no condensed chemical formula that specifies glucose, chemical formulas may be used in chemical equations to describe chemical reactions and other chemical transformations, such as the dissolving of ionic compounds into solution. A chemical formula identifies each constituent element by its chemical symbol, in empirical formulas, these proportions begin with a key element and then assign numbers of atoms of the other elements in the compound, as ratios to the key element. For molecular compounds, these numbers can all be expressed as whole numbers. For example, the formula of ethanol may be written C2H6O because the molecules of ethanol all contain two carbon atoms, six hydrogen atoms, and one oxygen atom. Some types of compounds, however, cannot be written with entirely whole-number empirical formulas. An example is boron carbide, whose formula of CBn is a variable non-whole number ratio with n ranging from over 4 to more than 6.5. When the chemical compound of the consists of simple molecules. These types of formulas are known as molecular formulas and condensed formulas. A molecular formula enumerates the number of atoms to reflect those in the molecule, so that the formula for glucose is C6H12O6 rather than the glucose empirical formula. However, except for very simple substances, molecular chemical formulas lack needed structural information, for simple molecules, a condensed formula is a type of chemical formula that may fully imply a correct structural formula. For example, ethanol may be represented by the chemical formula CH3CH2OH

7. Density – The density, or more precisely, the volumetric mass density, of a substance is its mass per unit volume. The symbol most often used for density is ρ, although the Latin letter D can also be used. Mathematically, density is defined as mass divided by volume, ρ = m V, where ρ is the density, m is the mass, and V is the volume. In some cases, density is defined as its weight per unit volume. For a pure substance the density has the numerical value as its mass concentration. Different materials usually have different densities, and density may be relevant to buoyancy, purity, osmium and iridium are the densest known elements at standard conditions for temperature and pressure but certain chemical compounds may be denser. Thus a relative density less than one means that the floats in water. The density of a material varies with temperature and pressure and this variation is typically small for solids and liquids but much greater for gases. Increasing the pressure on an object decreases the volume of the object, increasing the temperature of a substance decreases its density by increasing its volume. In most materials, heating the bottom of a results in convection of the heat from the bottom to the top. This causes it to rise relative to more dense unheated material, the reciprocal of the density of a substance is occasionally called its specific volume, a term sometimes used in thermodynamics. Density is a property in that increasing the amount of a substance does not increase its density. Archimedes knew that the irregularly shaped wreath could be crushed into a cube whose volume could be calculated easily and compared with the mass, upon this discovery, he leapt from his bath and ran naked through the streets shouting, Eureka. As a result, the term eureka entered common parlance and is used today to indicate a moment of enlightenment, the story first appeared in written form in Vitruvius books of architecture, two centuries after it supposedly took place. Some scholars have doubted the accuracy of this tale, saying among other things that the method would have required precise measurements that would have been difficult to make at the time, from the equation for density, mass density has units of mass divided by volume. As there are units of mass and volume covering many different magnitudes there are a large number of units for mass density in use. The SI unit of kilogram per metre and the cgs unit of gram per cubic centimetre are probably the most commonly used units for density.1,000 kg/m3 equals 1 g/cm3. In industry, other larger or smaller units of mass and or volume are often more practical, see below for a list of some of the most common units of density

8. Aqueous solution – An aqueous solution is a solution in which the solvent is water. It is usually shown in chemical equations by appending to the relevant chemical formula, for example, a solution of table salt, or sodium chloride, in water would be represented as Na+ + Cl−. The word aqueous means pertaining to, related to, similar to, as water is an excellent solvent and is also naturally abundant, it is a ubiquitous solvent in chemistry. Substances that are hydrophobic often do not dissolve well in water, an example of a hydrophilic substance is sodium chloride. Acids and bases are aqueous solutions, as part of their Arrhenius definitions, the ability of a substance to dissolve in water is determined by whether the substance can match or exceed the strong attractive forces that water molecules generate between themselves. If the substance lacks the ability to dissolve in water the molecules form a precipitate, reactions in aqueous solutions are usually metathesis reactions. Metathesis reactions are another term for double-displacement, that is, when a cation displaces to form a bond with the other anion. The cation bonded with the latter anion will dissociate and bond with the other anion, aqueous solutions that conduct electric current efficiently contain strong electrolytes, while ones that conduct poorly are considered to have weak electrolytes. Those strong electrolytes are substances that are ionized in water. Nonelectrolytes are substances that dissolve in water yet maintain their molecular integrity, examples include sugar, urea, glycerol, and methylsulfonylmethane. When writing the equations of reactions, it is essential to determine the precipitate. To determine the precipitate, one must consult a chart of solubility, soluble compounds are aqueous, while insoluble compounds are the precipitate. Remember that there may not always be a precipitate, when performing calculations regarding the reacting of one or more aqueous solutions, in general one must know the concentration, or molarity, of the aqueous solutions. Solution concentration is given in terms of the form of the prior to it dissolving. Metal ions in aqueous solution Solubility Dissociation Acid-base reaction theories Properties of water Zumdahl S.1997, 4th ed. Boston, Houghton Mifflin Company

9. Solubility – Solubility is the property of a solid, liquid, or gaseous chemical substance called solute to dissolve in a solid, liquid, or gaseous solvent. The solubility of a substance depends on the physical and chemical properties of the solute and solvent as well as on temperature, pressure. The solubility of a substance is a different property from the rate of solution. Most often, the solvent is a liquid, which can be a substance or a mixture. One may also speak of solid solution, but rarely of solution in a gas, the extent of solubility ranges widely, from infinitely soluble such as ethanol in water, to poorly soluble, such as silver chloride in water. The term insoluble is often applied to poorly or very poorly soluble compounds, a common threshold to describe something as insoluble is less than 0.1 g per 100 mL of solvent. Under certain conditions, the solubility can be exceeded to give a so-called supersaturated solution. Metastability of crystals can also lead to apparent differences in the amount of a chemical that dissolves depending on its form or particle size. A supersaturated solution generally crystallises when seed crystals are introduced and rapid equilibration occurs, phenylsalicylate is one such simple observable substance when fully melted and then cooled below its fusion point. Solubility is not to be confused with the ability to dissolve a substance, for example, zinc dissolves in hydrochloric acid as a result of a chemical reaction releasing hydrogen gas in a displacement reaction. The zinc ions are soluble in the acid, the smaller a particle is, the faster it dissolves although there are many factors to add to this generalization. Crucially solubility applies to all areas of chemistry, geochemistry, inorganic, physical, organic, in all cases it will depend on the physical conditions and the enthalpy and entropy directly relating to the solvents and solutes concerned. By far the most common solvent in chemistry is water which is a solvent for most ionic compounds as well as a range of organic substances. This is a factor in acidity/alkalinity and much environmental and geochemical work. According to the IUPAC definition, solubility is the composition of a saturated solution expressed as a proportion of a designated solute in a designated solvent. Solubility may be stated in units of concentration such as molarity, molality, mole fraction, mole ratio, mass per volume. Solubility occurs under dynamic equilibrium, which means that solubility results from the simultaneous and opposing processes of dissolution, the solubility equilibrium occurs when the two processes proceed at a constant rate. The term solubility is used in some fields where the solute is altered by solvolysis

10. Tetrahydrofuran – Tetrahydrofuran, whose preferred IUPAC name was changed in 2013 to oxolane, is an organic compound with the formula 4O. The compound is classified as heterocyclic compound, specifically a cyclic ether and it is a colorless, water-miscible organic liquid with low viscosity. It is mainly used as a precursor to polymers, being polar and having a wide liquid range, THF is a versatile solvent. About 200,000 tonnes of tetrahydrofuran are produced annually, the most widely used industrial process involves the acid-catalyzed dehydration of 1, 4-butanediol. Ashland/ISP is one the biggest producers of this chemical route, the method is similar to the production of diethyl ether from ethanol. The butanediol is derived from condensation of acetylene with formaldehyde followed by hydrogenation, duPont developed a process for producing THF by oxidizing n-butane to crude maleic anhydride, followed by catalytic hydrogenation. A third major industrial route entails hydroformylation of allyl alcohol followed by hydrogenation to the butanediol, THF can also be synthesized by catalytic hydrogenation of furan. Certain sugars can be converted to THF, although this method is not widely practiced, furan is thus derivable from renewable resources. The other main application of THF is as a solvent for polyvinyl chloride. It is a solvent with a dielectric constant of 7.6. It is a polar solvent and can dissolve a wide range of nonpolar and polar chemical compounds. THF is water-miscible and can form solid clathrate hydrate structures with water at low temperatures, in the laboratory, THF is a popular solvent when its water miscibility is not an issue. It is more basic than diethyl ether and forms complexes with Li+, Mg2+. It is a solvent for hydroboration reactions and for organometallic compounds such as organolithium. Although similar to diethyl ether, THF is a stronger base, commercial THF contains substantial water that must be removed for sensitive operations, e. g. those involving organometallic compounds. Although THF is traditionally dried by distillation from an aggressive desiccant, aqueous THF augments the hydrolysis of glycans from biomass and dissolves the majority of biomass lignin making it a suitable solvent for biomass pretreatment. THF is often used in polymer science, for example, it can be used to dissolve polymers prior to determining their molecular mass using gel permeation chromatography. THF dissolves PVC as well, and thus it is the ingredient in PVC adhesives

11. 1,4-Dioxane – 1, 4-Dioxane is a heterocyclic organic compound, classified as an ether. It is a liquid with a faint sweet odor similar to that of diethyl ether. The compound is called simply dioxane because the other dioxane isomers are rarely encountered. Dioxane is used as a solvent for a variety of applications as well as in the laboratory. Dioxane is produced by the dehydration of diethylene glycol, which in turn is obtained from the hydrolysis of ethylene oxide. In 1985, the production capacity for dioxane was between 11,000 and 14,000 tons. In 1990, the total U. S. production volume of dioxane was between 5,250 and 9,150 tons, the dioxane molecule is centrosymmetric, meaning that it adopts a chair conformation, typical of relatives of cyclohexane. However, the molecule is conformationally flexible, and the conformation is easily adopted. In the 1980s, most of the produced was used as a stabilizer for 1,1, 1-trichloroethane for storage. Dioxane poisons this catalysis reaction by forming an adduct with aluminum trichloride, Dioxane is used in a variety of applications as a versatile aprotic solvent, e. g. for inks, adhesives, and cellulose esters. It is substituted for tetrahydrofuran in some processes, because of its lower toxicity, while diethyl ether is rather insoluble in water, dioxane is miscible and in fact is hygroscopic. At standard pressure, the mixture of water and dioxane in the ratio 17.9,82.1 by mass is an azeotrope that boils at 87.6 C. The oxygen atoms are Lewis basic, and so dioxane is able to solvate many inorganic compounds and it reacts with Grignard reagents to precipitate the magnesium dihalide. In this way, dioxane is used to drive the Schlenk equilibrium, dimethylmagnesium is prepared in this manner,2 CH3MgBr +2 → MgBr22 + 2Mg Dioxane is used as an internal standard for proton NMR spectroscopy in D2O. Dioxane has an LD50 of 5170 mg/kg in rats and this compound is irritating to the eyes and respiratory tract. Exposure may cause damage to the nervous system, liver. In a 1978 mortality study conducted on workers exposed to 1, 4-Dioxane, Dioxane is classified by the National Toxicology Program as reasonably anticipated to be a human carcinogen. It is also classified by the IARC as a Group 2B carcinogen, the U. S. Environmental Protection Agency classifies dioxane as a probable human carcinogen, and a known irritant at concentrations significantly higher than those found in commercial products

12. Crystal structure – In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystalline material. Ordered structures occur from the nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter. The smallest group of particles in the material that constitutes the pattern is the unit cell of the structure. The unit cell completely defines the symmetry and structure of the crystal lattice. The repeating patterns are said to be located at the points of the Bravais lattice, the lengths of the principal axes, or edges, of the unit cell and the angles between them are the lattice constants, also called lattice parameters. The symmetry properties of the crystal are described by the concept of space groups, all possible symmetric arrangements of particles in three-dimensional space may be described by the 230 space groups. The crystal structure and symmetry play a role in determining many physical properties, such as cleavage, electronic band structure. The crystal structure of a material can be described in terms of its unit cell, the unit cell is a box containing one or more atoms arranged in three dimensions. The unit cells stacked in three-dimensional space describe the arrangement of atoms of the crystal. Commonly, atomic positions are represented in terms of fractional coordinates, the atom positions within the unit cell can be calculated through application of symmetry operations to the asymmetric unit. The asymmetric unit refers to the smallest possible occupation of space within the unit cell and this does not, however imply that the entirety of the asymmetric unit must lie within the boundaries of the unit cell. Symmetric transformations of atom positions are calculated from the group of the crystal structure. Vectors and planes in a lattice are described by the three-value Miller index notation. It uses the indices ℓ, m, and n as directional parameters, which are separated by 90°, by definition, the syntax denotes a plane that intercepts the three points a1/ℓ, a2/m, and a3/n, or some multiple thereof. That is, the Miller indices are proportional to the inverses of the intercepts of the plane with the unit cell, if one or more of the indices is zero, it means that the planes do not intersect that axis. A plane containing a coordinate axis is translated so that it no longer contains that axis before its Miller indices are determined, the Miller indices for a plane are integers with no common factors. Negative indices are indicated with horizontal bars, as in, in an orthogonal coordinate system for a cubic cell, the Miller indices of a plane are the Cartesian components of a vector normal to the plane. Likewise, the planes are geometric planes linking nodes

13. Coordination geometry – The term coordination geometry is used in a number of related fields of chemistry and solid state chemistry/physics. The coordination geometry of an atom is the pattern formed by atoms around the central atom. In the field of coordination complexes it is the geometrical pattern formed by the atoms in the ligands that are bonded to the central atom in a molecule or a coordination complex. The number of atoms bonded, is termed the coordination number, the geometrical pattern can be described as a polyhedron where the vertices of the polyhedron are the centres of the coordinating atoms in the ligands. The coordination preference of a metal often varies with its oxidation state, the number of coordination bonds can vary from two as high as 20 in Th4. Other common coordination geometries are tetrahedral and square planar, in a crystal structure the coordination geometry of an atom is the geometrical pattern of coordinating atoms where the definition of coordinating atoms depends on the bonding model used. In metals with the body centred cubic structure each atom has eight nearest neighbours in a cubic geometry, in metals with the face centred cubic structure each atom has twelve nearest neighbours in a cuboctahedral geometry. IUPAC have introduced the symbol as part of their IUPAC nomenclature of inorganic chemistry 2005 recommendations to describe the geometry around an atom in a compound. IUCr have proposed a symbol which is shown as a superscript in square brackets in the chemical formula, for example, CaF2 would be CaF2, where means cubic coordination and means tetrahedral. The equivalent symbols in IUPAC are CU−8 and T−4 respectively, the IUPAC symbol is applicable to complexes and molecules whereas the IUCr proposal applies to crystalline solids. Molecular geometry VSEPR Ligand field theory Cis effect Addition to pi ligands

14. Occupational safety and health – These terms of course also refer to the goals of this field, so their use in the sense of this article was originally an abbreviation of occupational safety and health program/department etc. The goals of occupational safety and health programs include to foster a safe, OSH may also protect co-workers, family members, employers, customers, and many others who might be affected by the workplace environment. In the United States, the occupational health and safety is referred to as occupational health and occupational and non-occupational safety. In common-law jurisdictions, employers have a common law duty to take care of the safety of their employees. As defined by the World Health Organization occupational health deals with all aspects of health, Health has been defined as a state of complete physical, mental and social well-being and not merely the absence of disease or infirmity. Occupational health is a field of healthcare concerned with enabling an individual to undertake their occupation. Health has been defined as It contrasts, for example, with the promotion of health and safety at work, since 1950, the International Labour Organization and the World Health Organization have shared a common definition of occupational health. It was adopted by the Joint ILO/WHO Committee on Occupational Health at its first session in 1950, the concept of working culture is intended in this context to mean a reflection of the essential value systems adopted by the undertaking concerned. Such a culture is reflected in practice in the systems, personnel policy, principles for participation, training policies. Professionals advise on a range of occupational health matters. The research and regulation of safety and health are a relatively recent phenomenon. As labor movements arose in response to concerns in the wake of the industrial revolution. The initial remit of the Inspectorate was to police restrictions on the hours in the textile industry of children. The commission sparked public outrage resulted in the Mines Act of 1842. Otto von Bismarck inaugurated the first social insurance legislation in 1883, similar acts followed in other countries, partly in response to labor unrest. Although work provides many economic and other benefits, an array of workplace hazards also present risks to the health. Personal protective equipment can protect against many of these hazards. Physical hazards affect many people in the workplace, Falls are also a common cause of occupational injuries and fatalities, especially in construction, extraction, transportation, healthcare, and building cleaning and maintenance

15. Pyrophoricity – A pyrophoric substance ignites spontaneously in air at or below 55 °C. Examples are iron sulfide and many reactive metals including plutonium and uranium, pyrophoric materials are often water-reactive as well and will ignite when they contact water or humid air. They can be handled safely in atmospheres of argon or nitrogen, most pyrophoric fires should be extinguished with a Class D fire extinguisher for burning metals. The creation of sparks from metals is based on the pyrophoricity of small metal particles, small amounts of pyrophoric liquids are often supplied in a glass bottle with a PTFE -lined septum. Larger amounts are supplied in metal tanks similar to gas cylinders, a syringe, carefully dried and flushed of air with an inert gas, is used to extract the liquid from its container. Pyrophoric solids require the use of a glove box flushed with inert gas. Glove boxes are expensive and require maintenance, thus, many pyrophoric solids are sold as solutions, or dispersions in mineral oil or lighter hydrocarbon solvents. Mildly pyrophoric solids can be handled in the air for brief periods of time, in finely divided form it is readily ignitable, and uranium scrap from machining operations is subject to spontaneous ignition. The GBU-39 is an example of a bunker buster bomb where uranium is mentioned in the patent as a way to achieve an effect with pyrophoricity. Neptunium Plutonium, several compounds are pyrophoric, and it causes some of the most serious occurring in United States Department of Energy facilities. Nonmetal hydrides Metal carbonyls US Dept. of Energy Handbook, Primer on Spontaneous Heating, archived from the original on 2015

16. Iron pentacarbonyl – Iron pentacarbonyl, also known as iron carbonyl, is the compound with formula Fe5. Under standard conditions Fe5 is a free-flowing, straw-colored liquid with a pungent odour and this compound is a common precursor to diverse iron compounds, including many that are useful in small scale organic synthesis. Iron pentacarbonyl is a metal carbonyl, where carbon monoxide is the only ligand complexed with a metal. Other examples include octahedral Cr6 and tetrahedral Ni4, most metal carbonyls have 18 valence electrons, and Fe5 fits this pattern with 8 valence electrons on Fe and five pairs of electrons provided by the CO ligands. Reflecting its symmetrical structure and charge neutrality, Fe5 is volatile, Fe5 adopts a trigonal bipyramidal structure with the Fe atom surrounded by five CO ligands, three in equatorial positions and two axially bound. The Fe–C–O linkages are each linear, Fe5 exhibits a relatively low rate of interchange between the axial and equatorial CO groups via the Berry mechanism. Iron carbonyl is sometimes confused with carbonyl iron, a high-purity metal prepared by decomposition of iron pentacarbonyl, Fe5 is produced by the reaction of fine iron particles with carbon monoxide. The compound was described in a journal by Mond and Langer in 1891 as a viscous liquid of a pale-yellow colour. Samples were prepared by treatment of finely divided, oxide-free iron powder with carbon monoxide at room temperature, industrial synthesis of the compound requires relatively high temperatures and pressures as well as special, chemically resistant equipment. Preparation of the compound at the laboratory scale avoids these complications by using an iodide intermediate, photodissociation of Fe5 produces Fe29, a yellow-orange solid, also described by Mond. When heated, Fe5 converts to small amounts of the metal cluster Fe312, simple thermolysis, however, is not a useful synthesis, and each iron carbonyl complex exhibits distinct reactivity. The industrial production of compound is somewhat similar to the Mond process in that the metal is treated with carbon monoxide to give a volatile gas. In the case of iron pentacarbonyl, the reaction is more sluggish and it is necessary to use iron sponge as the starting material, and harsher reaction conditions of 5–30 MPa of carbon monoxide and 150–200 °C. Similar to the Mond process, sulfur acts as a catalyst, the crude iron pentacarbonyl is purified by distillation. Most iron pentacarbonyl produced is decomposed on site to give pure iron in analogy to carbonyl nickel. Some iron pentacarbonyl is burned to give pure iron oxide, other uses of pentacarbonyliron are small in comparison. Many compounds are derived from Fe5 by substitution of CO by Lewis bases, L, common Lewis bases include isocyanides, tertiary phosphines and arsines, and alkenes. Usually these ligands displace only one or two CO ligands, but certain acceptor ligands such as PF3 and isocyanides can proceed to tetra- and these reactions are often induced with a catalyst or light

17. Organometallic chemistry – Moreover, some related compounds such as transition metal hydrides and metal phosphine complexes are often included in discussions of organometallic compounds. The field of organometallic chemistry combines aspects of inorganic and organic chemistry. Organometallic compounds are distinguished by the prefix organo- e. g. organopalladium compounds, examples of such organometallic compounds include all Gilman reagents, which contain lithium and copper. Tetracarbonyl nickel, and ferrocene are examples of compounds containing transition metals. The term metalorganics usually refers to metal-containing compounds lacking direct metal-carbon bonds, metal beta-diketonates, alkoxides, and dialkylamides are representative members of this class. Representative Organometallic Compounds Many complexes feature coordination bonds between a metal and organic ligands, the organic ligands often bind the metal through a heteroatom such as oxygen or nitrogen, in which case such compounds are considered coordination compounds. However, if any of the form a direct M-C bond, then complex is usually considered to be organometallic. Furthermore, many compounds such as metal acetylacetonates and metal alkoxides are called metalorganics. Many organic coordination compounds occur naturally, for example, hemoglobin and myoglobin contain an iron center coordinated to the nitrogen atoms of a porphyrin ring, magnesium is the center of a chlorin ring in chlorophyll. The field of inorganic compounds is known as bioinorganic chemistry. In contrast to these compounds, methylcobalamin, with a cobalt-methyl bond, is a true organometallic complex. This subset of complexes are often discussed within the subfield of bioorganometallic chemistry, the metal-carbon bond in organometallic compounds are generally highly covalent. For highly electropositive elements, such as lithium and sodium, the carbon ligand exhibits carbanionic character, but free carbon-based anions are extremely rare, as in other areas of chemistry, electron counting is useful for organizing organometallic chemistry. The 18-electron rule is helpful in predicting the stabilities of metal carbonyls, most organometallic compounds do not however follow the 18e rule. Chemical bonding and reactivity in organometallic compounds is often discussed from the perspective of the isolobal principle, as well as X-ray diffraction, NMR and infrared spectroscopy are common techniques used to determine structure. The dynamic properties of compounds is often probed with variable-temperature NMR. The abundant and diverse products from coal and petroleum led to Ziegler-Natta, Fischer-Tropsch, hydroformylation catalysis which employ CO, H2, recognition of organometallic chemistry as a distinct subfield culminated in the Nobel Prizes to Ernst Fischer and Geoffrey Wilkinson for work on metallocenes. In 2005, Yves Chauvin, Robert H. Grubbs and Richard R. Schrock shared the Nobel Prize for metal-catalyzed olefin metathesis,1900 Paul Sabatier works on hydrogenation organic compounds with metal catalysts

18. Oxygen – Oxygen is a chemical element with symbol O and atomic number 8. It is a member of the group on the periodic table and is a highly reactive nonmetal. By mass, oxygen is the third-most abundant element in the universe, after hydrogen, at standard temperature and pressure, two atoms of the element bind to form dioxygen, a colorless and odorless diatomic gas with the formula O2. This is an important part of the atmosphere and diatomic oxygen gas constitutes 20. 8% of the Earths atmosphere, additionally, as oxides the element makes up almost half of the Earths crust. Most of the mass of living organisms is oxygen as a component of water, conversely, oxygen is continuously replenished by photosynthesis, which uses the energy of sunlight to produce oxygen from water and carbon dioxide. Oxygen is too reactive to remain a free element in air without being continuously replenished by the photosynthetic action of living organisms. Another form of oxygen, ozone, strongly absorbs ultraviolet UVB radiation, but ozone is a pollutant near the surface where it is a by-product of smog. At low earth orbit altitudes, sufficient atomic oxygen is present to cause corrosion of spacecraft, the name oxygen was coined in 1777 by Antoine Lavoisier, whose experiments with oxygen helped to discredit the then-popular phlogiston theory of combustion and corrosion. One of the first known experiments on the relationship between combustion and air was conducted by the 2nd century BCE Greek writer on mechanics, Philo of Byzantium. In his work Pneumatica, Philo observed that inverting a vessel over a burning candle, Philo incorrectly surmised that parts of the air in the vessel were converted into the classical element fire and thus were able to escape through pores in the glass. Many centuries later Leonardo da Vinci built on Philos work by observing that a portion of air is consumed during combustion and respiration, Oxygen was discovered by the Polish alchemist Sendivogius, who considered it the philosophers stone. In the late 17th century, Robert Boyle proved that air is necessary for combustion, English chemist John Mayow refined this work by showing that fire requires only a part of air that he called spiritus nitroaereus. From this he surmised that nitroaereus is consumed in both respiration and combustion, Mayow observed that antimony increased in weight when heated, and inferred that the nitroaereus must have combined with it. Accounts of these and other experiments and ideas were published in 1668 in his work Tractatus duo in the tract De respiratione. Robert Hooke, Ole Borch, Mikhail Lomonosov, and Pierre Bayen all produced oxygen in experiments in the 17th and the 18th century but none of them recognized it as a chemical element. This may have been in part due to the prevalence of the philosophy of combustion and corrosion called the phlogiston theory, which was then the favored explanation of those processes. Established in 1667 by the German alchemist J. J. Becher, one part, called phlogiston, was given off when the substance containing it was burned, while the dephlogisticated part was thought to be its true form, or calx. The fact that a substance like wood gains overall weight in burning was hidden by the buoyancy of the combustion products

19. Aldehyde – The group—without R—is the aldehyde group, also known as the formyl group. Aldehydes are common in organic chemistry, Aldehydes feature an sp2-hybridized, planar carbon center that is connected by a double bond to oxygen and a single bond to hydrogen. The C–H bond is not ordinarily acidic, because of resonance stabilization of the conjugate base, an α-hydrogen in an aldehyde is far more acidic, with a pKa near 15, compared to the acidity of a typical alkane. This acidification is attributed to the quality of the formyl center and the fact that the conjugate base. Related to, the group is somewhat polar. Aldehydes can exist in either the keto or the enol tautomer, keto-enol tautomerism is catalyzed by either acid or base. Usually the enol is the minority tautomer, but it is more reactive, the common names for aldehydes do not strictly follow official guidelines, such as those recommended by IUPAC, but these rules are useful. IUPAC prescribes the following nomenclature for aldehydes, Acyclic aliphatic aldehydes are named as derivatives of the longest carbon chain containing the aldehyde group, thus, HCHO is named as a derivative of methane, and CH3CH2CH2CHO is named as a derivative of butane. The name is formed by changing the suffix -e of the parent alkane to -al, so that HCHO is named methanal, in other cases, such as when a -CHO group is attached to a ring, the suffix -carbaldehyde may be used. Thus, C6H11CHO is known as cyclohexanecarbaldehyde, if the presence of another functional group demands the use of a suffix, the aldehyde group is named with the prefix formyl-. This prefix is preferred to methanoyl-, the word aldehyde was coined by Justus von Liebig as a contraction of the Latin alcohol dehydrogenatus. In the past, aldehydes were sometimes named after the corresponding alcohols, for example, the term formyl group is derived from the Latin word formica ant. This word can be recognized in the simplest aldehyde, formaldehyde, Aldehydes have properties that are diverse and that depend on the remainder of the molecule. Smaller aldehydes are more soluble in water, formaldehyde and acetaldehyde completely so, the volatile aldehydes have pungent odors. Aldehydes degrade in air via the process of autoxidation, the two aldehydes of greatest importance in industry, formaldehyde and acetaldehyde, have complicated behavior because of their tendency to oligomerize or polymerize. They also tend to hydrate, forming the geminal diol, the oligomers/polymers and the hydrates exist in equilibrium with the parent aldehyde. Aldehydes are readily identified by spectroscopic methods, using IR spectroscopy, they display a strong νCO band near 1700 cm−1. In their 1H NMR spectra, the formyl hydrogen center absorbs near δH =9 and this signal shows the characteristic coupling to any protons on the alpha carbon

20. Reagent – A reagent /riˈeɪdʒənt/ is a substance or compound added to a system to cause a chemical reaction, or added to test if a reaction occurs. The terms reactant and reagent are often used interchangeably—however, a reactant is more specifically a substance consumed in the course of a chemical reaction, solvents, though involved in the reaction, are usually not called reactants. Similarly, catalysts are not consumed by the reaction, so they are not reactants, in biochemistry, especially in connection with enzyme-catalyzed reactions, the reactants are commonly called substrates. In organic chemistry, the term reagent denotes a chemical ingredient introduced to cause a transformation of an organic substance. Examples include the Collins reagent, Fentons reagent, and Grignard reagents, examples include Fehlings reagent, Millons reagent, and Tollens reagent. Purity standards for reagents are set by such as ASTM International or the American Chemical Society. For instance, reagent-quality water must have low levels of impurities such as sodium and chloride ions, silica. Laboratory products which are pure, but still useful and economical for undemanding work, may be designated as technical, practical. In the field of biology, the revolution in the 1980s grew from the development of reagents that could be used to identify and manipulate the chemical matter in. These reagents included antibodies, oligomers, all sorts of organisms and immortalised cell lines, reagents and methods for molecular cloning and DNA replication

21. Sodium naphthalenide – Sodium naphthalenide, also known as sodium naphthalide, is an organic salt with the formula Na+C10H8−. In the research laboratory, it is used as a reductant in the synthesis of organic, organometallic and it has not been isolated as a solid, but it is usually prepared fresh before use. The alkali metal naphthalenides are prepared by stirring the metal with naphthalene in an ethereal solvent, the resulting salt is dark green. The anion is a radical, giving a strong EPR signal near g =2.0 and its deep green color arises from absorptions centered at 463,735 nm. The anion is strongly basic, and a typical degradation pathway involves reaction with water, sodium acenaphthalenide is milder by about 0.75 V. The corresponding lithium salt, lithium naphthalenide, is also known

22. Sodium

I'm just a big ball of atoms that just so happen to be formed together in time and space. does it really matter if i do my essay?

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