Theoretical mechanistic insights into dinitrogen cleavage by a dititanium hydride complex bearing PNP-pincer ligands-Reference-Cited by-同舟云学术

Theoretical mechanistic insights into dinitrogen cleavage by a dititanium hydride complex bearing PNP-pincer ligands

Published:2022 Issue:3 Volume:51 Page:918-926
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Yang Jimin¹^ORCID,Zhuo Qingde²,Mo Zhenbo²,Hou Zhaomin¹²^ORCID,Luo Yi¹³^ORCID

Affiliation:

1. State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, China

2. Organometallic Chemistry Laboratory, RIKEN Cluster for Pioneering Research, and Advanced Catalysis Research Group, RIKEN Centre for Sustainable Resource Science, Wako, Saitama 351-0198, Japan

3. PetroChina Petrochemical Research Institute, Beijing, 102206, China

Abstract

The mechanism of dinitrogen cleavage by a PNP-coordinated dititanium polyhydride complex has been computationally investigated. The planarity of PNP-pincer ligand and polarity of solvent could affect the reactivity of N2 activation.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/DT/D1DT03852D

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2. Dinitrogen Cleavage and Functionalization with Carbon Dioxide in a Dititanium Dihydride Framework;Journal of the American Chemical Society;2022-04-05