Unusual effects of the bulky 1-norbornyl group in cobalt carbonyl chemistry: low-energy structures with agostic hydrogen atoms-Reference-Cited by-同舟云学术

Unusual effects of the bulky 1-norbornyl group in cobalt carbonyl chemistry: low-energy structures with agostic hydrogen atoms

Published:2020 Issue:21 Volume:44 Page:8986-8995
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Li Huidong¹²³⁴⁵,Zhang Ze¹²³⁴⁵,Wang Linshen¹²³⁴⁵,Wan Di¹²³⁴⁵,Hu Yucheng¹²³⁴⁵,Fan Qunchao¹²³⁴⁵,King R. Bruce⁶⁷⁸⁹^ORCID,Schaefer Henry F.⁶⁷⁸⁹^ORCID

Affiliation:

1. School of Science

2. Key laboratory of High Performance Scientific Computation

3. Xihua University

4. Chengdu

5. China

6. Center for Computational Quantum Chemistry

7. University of Georgia

8. Athens

9. USA

Abstract

Low-energy (nor)Co(CO)_n (n = 3, 2) and (nor)₂Co₂(CO)_n (nor = 1-norbornyl; n = 6, 5) structures are found to have agostic hydrogen atoms from a CH₂ group adjacent to the Co–C bond forming C–H–Co bridges. In addition, low-energy structures are found with (nor)CO acyl ligands resulting from carbonyl migration.

Funder

National Science Foundation

Ministry of Education of the People's Republic of China

National Natural Science Foundation of China

Xihua University

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/NJ/D0NJ01320J

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