Theoretical investigation of borane compounds mimicking transition metals for N<sub>2</sub> fixation and activation-Reference-Cited by-同舟云学术

Theoretical investigation of borane compounds mimicking transition metals for N₂ fixation and activation

Published:2023 Issue:2 Volume:25 Page:1331-1341
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Zhipeng¹^ORCID,Song Guoliang¹,Li Zhen Hua¹^ORCID

Affiliation:

1. Shanghai Key Laboratory of Molecular Catalysis and Innovative Material, Department of Chemistry, Fudan University, Shanghai, 200438, China

Abstract

Borane compounds with at least two weak B–X bonds, can be used to mimic transition metals to fix and activate N2 utilizing the back donation from the σ bonding orbitals of the B–X bonds to the antibonding π* and σ* orbitals of N2.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP04560E

Reference74 articles.

1. The continuing story of dinitrogen activation

2. D. R.Lide , CPC Handbook of Chemistry and Physics, Internet version 2005 , CRC Press , 2005

3. Mechanism of Molybdenum Nitrogenase

4. V.Smil , Enriching the Earth: Fritz Haber, Carl Bosch, and the Transformation of World Food Production , MIT press , 2004

5. M.Appl , Ullmann's Encyclopedia of Industrial Chemistry , Wiley-VCH verlag GmbH & Co. KGaA , 2006

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