Theoretical studies of diiron(II) complexes that model features of the dioxygen-activating centers in non-heme diiron enzymes

Israel Journal of Chemistry

Volumn 41, Issue 3, 2001, Pages 173-186

  Baik, Mu Hyun ^a   Lee, Dongwhan ^b   Friesner, Richard A ^a   Lippard, Stephen J ^b  

^a Columbia University ^*  (United States)

^b MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0035742975     PISSN: 00212148     EISSN: None     Source Type: Journal    
DOI: 10.1560/8YUG-V7EF-VHHP-6UG2     Document Type: Article

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74. The main goal of the orbital analysis presented here is to highlight the differences between the different coupling schemes. The metal-ligand bonding orbitals are of course of essential importance to understand the structural features discussed in the first part of this paper. We have studied these orbitals in detail and will report the results elsewhere in a different framework.