Mutual interdependence of spin crossover and metal-metal bond formation in M2Cl9(3-) (M = Fe, Ru, Os).

Broken-symmetry density functional theory is used to examine the coupling between metal ions in the face-shared bioctahedral complexes M2Cl9(3-), M = Fe, Ru, Os. In the ruthenium and osmium systems, the metal ions have low-spin configurations, and strong coupling results in the formation of a metal-...

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Hlavní autoři: Lovell, T, Stranger, R, McGrady, J
Médium: Journal article
Jazyk:English
Vydáno: 2001