Magneto-Structural Correlations in Pseudotetrahedral Forms of the Co(SPh)42– Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations

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Abstract

and E/D = 0.18(3). Multireference ab initio CASSCF/NEVPT2 calculations enable interpretation of the remarkable variation of D and its dependence on the electronic structure and geometry.

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Magneto-Structural Correlations in Pseudotetrahedral Forms of the Co(SPh)42– Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations

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Abstract

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