Modification of various functions for description of periodic dependences

摘要

The properties of coordination compounds are known to change with the metal or ligand nature. These changes are often recurred, discontinued, or exhibit jumps. Such "dialectical" dependences can be described by any appropriate function presented as periodic by omitting the integral part in the basic function dependent variable. This approach is illustrated with equations for enthalpies of formation (in the gas phase), ionization energies, absolute electronegativities and hardnesses in a spin-coupled state, and electronic effect constants of complexing metals, as well as for IR spectroscopic constants for metal carbonyl compounds. These equations were used to calculted the above parameters, which were previously unknown, and thus extended the possibilities of describing and predicting the chemical and spectroscopic properties of coordination compounds. Examples are given for various transition metals with H, CH_3, Hal, eta-Cp, CO, NO, PR_3, and other ligands.