| Literature DB >> 29711990 |
François Ogliaro1, Samüel P de Visser1, John T Groves2, Sason Shaik1.
Abstract
Chameleon states: the ruthenium and iron metalloporphyrin analogues of compound I of cytochrome P450 (1; L = thiolate) possess low-lying states that change their electronic structure with solvent polarization. The ground state of the ruthenium complex is a low-spin electrophilic state, whereas the ground state of the iron complex is triradicaloid.Entities:
Keywords: cytochromes; density functional calculations; electronic structure; metalloporphyrin; ruthenium
Year: 2001 PMID： 29711990 DOI： 10.1002/1521-3773(20010803)40:15<2874::AID-ANIE2874>3.0.CO;2-9
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN： 1433-7851 Impact factor: 15.336