Derivation of donor and acceptor characteristics of addends from spectral data

Abstract

The donor and acceptor characteristics of addend orbitals are discussed via MO localized largely on the metal atom in groups of ML₆ type in which M has open electron shells. The energy characteristics of these MO are derived from the tetragonal splitting of the T_1g and T_2g terms in groups of MX₄L₂ or MX₅L types for Cr³⁺ and Ni²⁺, taken in conjunction with the overlap integrals for the corresponding orbitals and the spectrochemical parameters (10Dq) for groups of ML₆ type. The spatial characteristics (delocalization coefficients) of the MO may be deduced from the nepheloxetic effects and also from the energy characteristics. The corresponding characteristics have been calculated for halides, amines, water, urea, oxalate, etc.