Quantifying the effect of high-spin/low-spin crossover on electron d(5)d(5) M2Cl93- (M = Fe, Ru, Os) dimers
Density functional theory has been used to investigate the effect of high-spin/low-spin crossover on the delocalization of metal-based electrons in homo- and hetero-bimetallic d5d5 face-shared M2Cl93- (M = Fe, Ru, Os) dimers. The energetic contributions of the ligand-field, ΔELF, spin-polarization,...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2002
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