Perfluoroolefin complexes versus perfluorometallacycles and perfluorocarbene complexes in cyclopentadienylcobalt chemistry

Author:

Wen Limei12345,Li Guoliang12345,Xie Yaoming6789,King R. Bruce6789ORCID,Schaefer Henry F.6789ORCID

Affiliation:

1. Key Laboratory of Theoretical Chemistry of Environment

2. Ministry of Education

3. Center for Computational Quantum Chemistry

4. School of Chemistry

5. South China Normal University

6. Department of Chemistry and Center for Computational Quantum Chemistry

7. University of Georgia

8. Athens

9. USA

Abstract

DFT studies on the CpCo(L)(CnF2n) (Cp = η5-C5H5; L = CO, PMe3; n = 3 and 4) complexes indicate structures with perfluoroolefin ligands to be the lowest energy structures followed by perfluorometallacycle structures and finally by perfluorocarbene structures.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference43 articles.

1. F. Calderazzo , in Encyclopedia of Inorganic Chemistry , ed. R. B. King , Wiley , Chichester , 2nd edn, 2005 , pp. 764–781

2. 535. Transition-metal fluorocarbon complexes. Part I. Derivatives of perfluoro-olefins

3. Aromatic Trifluoromethylation with Metal Complexes

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