Stability and bonding of carbon(0)‐iron− <scp> N <sub>2</sub> </scp> complexes relevant to nitrogenase co‐factor: <scp>EDA‐NOCV</scp> analyses-Reference-Cited by-同舟云学术

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Stability and bonding of carbon(0)‐iron− N ₂ complexes relevant to nitrogenase co‐factor: EDA‐NOCV analyses

Published:2022-09-28 Issue:1 Volume:44 Page:43-60
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Gorantla Sai Manoj N. V. T.¹,Karnamkkott Harsha S.¹,Arumugam Selvakumar¹,Mondal Sangita¹,Mondal Kartik Chandra¹^ORCID

Affiliation:

1. Department of Chemistry Indian Institute of Technology Madras Chennai India

Funder

Science and Engineering Research Board

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27012

Reference69 articles.

1. Climbing Nitrogenase: Toward a Mechanism of Enzymatic Nitrogen Fixation

2. Fe-N2/CO complexes that model a possible role for the interstitial C atom of FeMo-cofactor (FeMoco)

3. Recent Developments in Nitrogen Reduction Catalysts: A Virtual Issue

4. Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Density functional theory study of substituent effects on gas-phase heterolytic Fe-N bond energies of m-G-C6H4NHFe(CO)2(η5-C5H5) and m-G-C6H4N(COMe) Fe(CO)2(η5-C5H5);Inorganica Chimica Acta;2024-09

2. EDA-NOCV analyses of M−E2 bond: E2 binding and activation [E2 = N2, H2];Journal of Chemical Sciences;2024-07-29

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