Compound coordination

Nakamoto K 1978 Infrared and Raman Spectra of Inorganic and Coordination Compounds 3rd edn (New York Wiley-Interscience)... 

Measurements on copper) I) chloride show the vapour to be the dimer of formula CU2CI2, but molecular weight determinations in certain solvents such as pyridine show it to be present in solution as single molecules, probably because coordination compounds such as py -> CuCl (py = pyridine) are formed. 

Besides structure and substructure searches, Gmclin provides a special search strategy for coordiuation compouuds which is found in no other database the ligand search system, This superior search method gives access to coordination compounds from a completely different point of view it is possible to retrieve all coordination compounds with the same ligand environment, independently of the central atom or the empirical formula of the compound. 

MOMEC is a force field for describing transition metal coordination compounds. It was originally parameterized to use four valence terms, but not an electrostatic term. The metal-ligand interactions consist of a bond-stretch term only. The coordination sphere is maintained by nonbond interactions between ligands. MOMEC generally works reasonably well for octahedrally coordinated compounds. 

Electron correlation is often very important as well. The presence of multiple bonding interactions, such as pi back bonding, makes coordination compounds more sensitive to correlation than organic compounds. In some cases, the HF wave function does not provide even a qualitatively correct description of the compound. If the weight of the reference determinant in a single-reference CISD calculation is less than about 0.9, then the HF wave function is not qualitatively correct. In such cases, multiple-determinant, MSCSF, CASPT2, or MRCI calculations tend to be the most efficient methods. The alternative is... 

I. Omae, Organometallic Intramolecular Coordination Compounds, Elsevier, Amsterdam, 1986. 

Free Radicals. In the formula of a polyatomic radical an unpaired electron(s) is(are) indicated by a dot placed as a right superscript to the parentheses (or square bracket for coordination compounds). In radical ions the dot precedes the charge. In structural formulas, the dot may be placed to indicate the location of the unpaired electron(s). 

Ligands Other than Oxygen and Sulfur. See Sec. 3.1.7, Coordination Compounds, for acids containing ligands other than oxygen and sulfur (selenium and tellurium). 

Esters. Esters of inorganic acids are named as the salts for example, ( 113)2804, dimethyl sulfate. However, if it is desired to specify the constitution of the compound, the nomenclature for coordination compounds should be used. 

Naming a Coordination Compound. To name a coordination compound, the names of the ligands are attached directly in front of the name of the central atom. The ligands are listed in alphabetical order regardless of the number of each and with the name of a ligand treated as a unit. Thus diammine is listed under a and dimethylamine under d. The oxidation number of the central atom is stated last by either the oxidation number or charge number. 

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