Abstract
The apparent failure of crystal-field theory to account for the intensities of the A2→T1(F, P) transitions of tetrahedral Co+ complexes is shown to be due to the use of hydrogenic wavefunctions. When near-SCF functions are used to evaluate the matrix elements, the crystal field and ligand polarization terms are comparable and the cross-term between them becomes important. General equations for the calculation of these three terms in tetrahedral complexes are derived.
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Schedule a callMore From: Journal of the Chemical Society, Faraday Transactions 2
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