Computational study on the mechanism of hydroboration of CO2 catalysed by POCOP pincer nickel thiolate complexes: concerted catalysis and hydride transfer by a shuttle
Author:
Affiliation:
1. School of Chemistry and Chemical Engineering; Henan Key laboratory of Organic Functional Molecule and Drug Innovation; Key Laboratory of Green Chemical Media and Reactions
2. Ministry of Education
3. Henan Normal University
4. Xinxiang
5. China
Abstract
The concerted catalysis and hydride shuttle mechanism for pincer nickel thiolate catalysed hydroboration of CO2 was established by DFT computations.
Funder
National Natural Science Foundation of China
Higher Education Discipline Innovation Project
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/DT/D0DT04345A
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