Electronic and Steric Control of the Spin-Crossover Behavior in [(CpR)2Mn] Manganocenes.
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DOI: 10.1021/acs.inorgchem.7b02592
Abstract: A computational study of the spin-crossover behavior in the family [(CpR)2Mn] (R = Me, iPr, tBu) is presented. Using the OPBE functional, the different electronic and steric effects over the metal's ligand field are studied,… read more here.
Keywords: steric effects; crossover behavior; electronic steric; cpr 2mn ... See more keywords