Charge Transfer in the Metal-Ligand Bond as Determined by Electron Spin Resonance
A self-consistent charge analysis has been performed on the ESR spin-Hamiltonian parameters of CrO 4 3- and MoO 4 3- in which values of the spin-orbit constant and 〈r〉-3 for different charges on the ion are used until the charge calculated from the molecular orbitals is consistent with that assumed. In both cases the effective charge on the metal ion is found to be +2 or less. The effects of several approximations on the calculation are tested, and an approximate analysis is made of the charge transfer in other M5+ and M4+ ions with the d 1 configuration.
Keywords2H2O Chromium Molybdenum Maki
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