Dependence of vibrational spectra of coordination compounds on electron excitation energies

Methods of quantum chemistry were used to interpret dependences of vibration frequencies of metal-ligand bonds in coordination compounds on their chemical composition and structure type of a central atom, degree of its oxidation, ligand nature and external spherical surroundine, coordination number. The frequencies of metal-ligand vibrations are shown to increase with increase in the oxidation degree of the central atom. For complexes, containing d-transition metals as a central atom-complexing agent both electron excitation energies and masses of vibrating atom groups increase in the 3d→4d → 5d series. In the cation series of alkaline (Cs+) and alkaline-earth metals (Sr2+) the energies of electron d-d-transitions decrease at combined fields of different symmetry and increase at combined fields of identical symmetry. Dependences of strength constants and vibration energies on electron excitation energies testify to the fact, that this parameter can be a determining one for many coordination compounds. The given dependences were studied, taking as an example the following complexes: K2MoCl6, K2WCl6, Cs2MoCl6, Cs2ReBr6, Ru(NH3)6Cl3, CsVCl4 and others