How easy is CO2 fixation by M–C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)?

Author:

Vummaleti Sai V. C.12345,Talarico Giovanni6789,Nolan Steven P.101112135,Cavallo Luigi12345,Poater Albert14151617

Affiliation:

1. KAUST Catalysis Center

2. Physical Sciences and Engineering Division

3. King Abdullah University of Science and Technology

4. Thuwal 23955-6900

5. Saudi Arabia

6. Dipartimento di Scienze Chimiche

7. Università di Napoli Federico II

8. 80126 Napoli

9. Italy

10. Chemistry Department

11. College of Science

12. King Saud University

13. Riyadh 11451

14. Institut de Química Computacional i Catàlisi and Departament de Química

15. Universitat de Girona

16. 17071 Girona

17. Spain

Abstract

A comparison between different M–C bonds (M = Cu(i), Ni(ii), Co(i), Rh(i) and Ir(i)) has been reported by using density functional theory (DFT) calculations to explore the role of the metal in the fixation or incorporation of CO2 into such complexes.

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry

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