Is the polarization of the CC bond imperative for bifunctional outer-sphere CC hydrogenation?-Reference-Cited by-同舟云学术

Is the polarization of the CC bond imperative for bifunctional outer-sphere CC hydrogenation?

Published:2023 Issue:5 Volume:10 Page:1301-1308
ISSN:2052-4129
Container-title:Organic Chemistry Frontiers
language:en
Short-container-title:Org. Chem. Front.

Author:

Ai Xinliang¹,Xie Xiaofeng¹,Song Xueqing¹^ORCID,Li Longfei¹^ORCID,Schaefer III Henry F.²^ORCID

Affiliation:

1. College of Pharmacy, Key Laboratory of Pharmaceutical Quality Control of Hebei Province, Key Laboratory of Medicinal Chemistry and Molecular Diagnosis of Ministry of Education, Hebei University, Baoding 071002, Hebei, P. R. China

2. Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, USA

Abstract

The DFT study suggests that the polarization of CC bonds is not the controlling factor of outer-sphere bifunctional CC bond hydrogenations. Instead, the “push–pull” type π-conjugative effect can contribute to these reactions.

Funder

Hebei University

Natural Science Foundation of Hebei Province

U.S. Department of Energy

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/QO/D2QO02020C

Reference57 articles.