Chemical formulas types

Another example of deahng with molecular structure input/output can be found in the early 1980s in Boehiinger Ingelheim. Their CBF (Chemical and Biology Facts) system [44] contained a special microprocessormolecular structures. Moreover, their IBM-type printer chain unit had been equipped with special chemical characters and it was able to print chemical formulas. 

An important approach to the graphic representation of molecules is the use of a connection table. A connection table is a data base that stores the available bond types and hybridizations for individual atoms. Using the chemical formula and the connection table, molecular stmctures may be generated through interactive graphics in a menu-driven environment (31—33) or by using a linear input of code words (34,35). The connection table approach may be carried to the next step, computer-aided molecular design (CAMD) (36). 

The chemical formula of a compound represents its composition in terms of chemical symbols. Subscripts show the numbers of atoms of each element present in the smallest unit that is representative of the compound. For molecular compounds, it is common to give the molecular formula, a chemical formula that shows how many atoms of each type of element are present in a single molecule of the compound. For instance, the molecular formula for water is H20 each molecule contains one O atom and two H atoms. The molecular formula for estrone, a female sex hormone, is Clgl-I2202, showing that a single molecule of estrone consists of 18 C atoms, 22 FI atoms, and 2 O atoms. A molecule of a male sex hormone, testosterone, differs by only a few atoms its molecular formula is (lyH2802. Think of the consequences of that tiny difference ... 

J 5 Interpret chemical formulas in reference to the number of each type of atom present. 

The names of coordination compounds can become awesomely long because the identity and number of each type of ligand must be included. In most cases, chemists avoid the problem by using the chemical formula rather than the name itself. For instance, it is much easier to refer to [FeCl(H20)5]+ than to pen-taaquachloroiron(II) ion, its formal name. However, names are sometimes needed, and they can be constructed and interpreted, in simple cases at least, by using the rules set out in Toolbox 16.1. Table 16.4 gives the names of common ligands and their abbreviations, which are used in the formulas of complexes. 

Although they are built from the same numbers and kinds of atoms, structural isomers have different chemical formulas, because the formulas show how the atoms are grouped in or outside the coordination sphere. Stereoisomers, on the other hand, have the same formulas, because their atoms have the same partners in the coordination spheres only the spatial arrangement of the ligands differs. There are two types of stereoisomerism, geometrical and optical. 

The student conceptions that were displayed could be categorised into three main types, namely (1) confusion between macroscopic and submicroscopic representations, (2) extrapolation of bulk macroscopic properties of matter to the submicroscopic level and (3) corrfusion over the multi-faceted significance of chemical symbols, chemical formulas as well as chemical and ionic equations. Student conceptions held by at least 10% of the students who were involved in the alternative instractional programme were identified. Several examples of student conceptions involving the use of the triplet relationship are discussed in the next section. 

A chemical formula describes the composition of a substance by giving the relative numbers of atoms of each element. When a substance contains discrete molecules, a chemical formula is also a molecular formula. A chemical formula contains elemental symbols to represent atoms and subscripted numbers to indicate the number of atoms of each type. The simplest chemical formulas describe pure elements. The chemical formulas of most elements are their elemental symbols helium is He, silicon is Si, copper is Cu. However, seven elements occur naturally as diatomic molecules (Figure 3-lT so their chemical formulas take the form X2 A few other elements occur as atomic clusters, notably P4 and Sg. ... 

To determine a chemical formula from a molecular picture, count the atoms of each type and arrange the symbols in the correct order using the guidelines. 

By convention, the chemical formulas of many ionic compounds do not explicitly state the charges of the ions. It is not necessary to do so when the species involved form ions with only one possible charge. However, many metals form more than one type of stable cation. For example, copper forms two different oxides, black CuO and red C112 O. The oxide anion has a -2 charge, so for the first compound to be neutral the copper cation must bear a +2 charge. In C112 O, each copper ion must have +1 charge. 

The elemental analysis of a compound is usually determined by a laboratory that specializes in this technique. A chemist who has prepared a new compound sends a sample to the laboratory for analysis. The laboratory charges a fee that depends on the type and number of elements analyzed. The results are returned to the chemist as a listing of mass percent composition. The chemist must then figure out which chemical formula matches this composition. If a chemist has reason to expect a particular chemical formula, the observed percentages can be matched against the calculated percentages for the expected formula. This process is illustrated in Example 3-13. 

Another type of notation, introduced by P. Niggli, uses fractional numbers in the chemical formula. The formula Ti06/, for instance means that every titanium atom is surrounded by 6 O atoms, each of which is coordinated to 3 Ti atoms. Another example is NbOCl3 = NbC C C /i which has coordination number 6 for the niobium atom (= 2 -)- 2 + 2 = sum of the numerators), coordination number 2 for the O atom and coordination numbers 2 and 1 for the two different kinds of Cl atoms (cf. Fig. 16.11, p. 176). 

J. Lima-de-Faria, Crystal chemical formulae for inorganic structure types. In Modem Perspectives in Inorganic Crystal Chemistry (E. Parthe, ed.), p. 117. Kluwer, 1992. 

As the value of these two new chemicals for insecticides became more evident, the need for extended experimental and test work was definitely established. It was necessary to determine chemical formulas, work out analytical methods, obtain knowledge of various physical and chemical characteristics, and complete evaluation of insecticidal action as well as toxicity and effect of residues. Toxicity was concerned with not only insects but humans and other warm-blooded animals. Residual studies included information on persistence and type and amount of residue. This information, once accumulated, must be correlated with similar information on other insecticides. 

Frankland discovered the fundamental principle of valency—the combining power of atoms to form compounds. He gave the chemical bond its name and popularized the notation we use today for writing chemical formulas. He codiscovered helium, helped found synthetic organic and structural chemistry, and was the father of organometallic chemistry. He was also the first person to thoroughly analyze the gases from different types of coal and—dieters take note—the first to measure the calories in food. 

While Lavoisier had established a rational system for naming elements and compounds, Frankland developed the system that we use today for writing chemical formulas and for depicting the bonds between the atoms in molecules. As Frankland synthesized more and more isomers, compounds with the same formulas but different molecular structures, he found traditional formulas confusing they showed the types and numbers of elements but provided no clue as to how the atoms were arranged inside the molecule. To remedy the problem, Frankland depicted the atoms in functional groups and drew lines between them to indicate the bonds between the elements. 

An example of this type of reaction that does not produce a byproduct is isomerization (the reaction of a feed to a product with the same chemical formula but a different molecular structure). For example, allyl alcohol can be produced from propylene oxide5 ... 

Thus, three types of components can be distinguished in most substances, whether of natural origin or made by humans major, minor, and trace components (see Table 8). The major components, also known as the main or matrix components, are those that determine the chemical nature and properties of a substance. The major components occur in the substance in high concentration, generally exceeding 1 % of the total weight. In minerals and biological substances, for example, the major components are those that appear in the chemical formula that expresses their composition. 

No. Type Chemical formula Color state Intradimer6 Interdimer angle (deg.) (deg.) (deg.)f Reference ... 

Some of the zwitterionic A557-silicates described in this chapter were studied for their chemical properties. As shown for 32,44, and 45 in Scheme 7, compounds of this particular formula type undergo an intermolecular exchange of their benzene-1,2-diolato(2-) ligands in solution at room temperature.38 Solution-state NMR studies ([D6]DMSO XH, 13C, 29Si) and FD MS experiments provided evidence for the equilibrium 32 + 44 2 45. 

Table 1—1 shows seven types of organic compounds that have gone through an oxidation process of some kind. They have, had oxygen chemically added to them in some fashion. Each of these groups of compounds will be discussed in detail in one or more chapters later on, but some familiarity with the nomenclature at this point is helpful. (In each of the chemical formulas in the... 

Avogadro s number, N° (=6.02 10 ) gives the number of molecules in that many gramms of a chemical compound as the value of its molecular weight. If, for the sake of simplicity, we assume that the chemical formula of the molecule is X Ym than its molecular weight is nAx+mAy and there are N°n atoms of the X element and N°m atoms of the Y element in the nAx+mAy gramms of that compound. The important feature of the molecule here is the constant proportion of its constituents (and not the type of bond between them). 

Commercially significant zeolites include the synthetic zeolites type A (LTA), X (FAU), Y (FAU), L (LTL), mordenite (MOR), ZSM-5 (MFI), beta ( BEA/BEC), MCM-22 (MTW), zeolites E (EDI) andW (MER) and the natural zeolites mordenite (MOR), chabazite (CHA), erionite (ERl) and clinoptiloUte (HEU). Details of the structures of some of these are given in this section. Tables in each section lists the type material (the common name for the material for which the three letter code was established), the chemical formula representative of the unit cell contents for the type material, the space group and lattice parameters, the pore structure and known mineral and synthetic forms. 

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