Singlet diradical character of an oxidized ruthenium trithiolate: Electronic structure and reactivity

Angewandte Chemie - International Edition

Volumn 46, Issue 22, 2007, Pages 4085-4088

  Grapperhaus, Craig A ^a   Kozlowski, Pawel M ^a   Kumar, Devesh ^b   Frye, Holly N ^a   Venna, Kiran B ^a   Poturovic, Selma ^a  

^a UNIVERSITY OF LOUISVILLE   (United States)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Density functional calculations; Diradicals; Electronic structure; Oxidation; Sulfur

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GROUND STATE; HYDROCARBONS; LIGANDS; OXIDATION; SULFUR;

DELOCALIZED; DIRADICALS; METAL ATOM; UNPAIRED ELECTRONS;

RUTHENIUM COMPOUNDS;

EID: 34250744648     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200700297     Document Type: Article

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