Electronic structure of iron dinitrogen complex [(TPB)FeN2]2−/1−/0: correlation to Mössbauer parameters-Reference-Cited by-同舟云学术

Electronic structure of iron dinitrogen complex [(TPB)FeN2]2−/1−/0: correlation to Mössbauer parameters

Published:2020 Issue:13 Volume:10 Page:7948-7955
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Vyas Nidhi¹²³⁴^ORCID,Kumar Aditya⁵⁶⁷⁴^ORCID,Ojha Animesh K.⁵⁶⁷⁴^ORCID,Grover Abhinav¹²³⁴^ORCID

Affiliation:

1. School of Biotechnology

2. Jawaharlal Nehru University

3. New Delhi-110067

4. India

5. Department of Physics

6. Motilal Nehru National Institute of Technology

7. Allahabad-211004

Abstract

We use density functional theory studies to explore the electronic structure, bonding and spectroscopic analysis of a low-valent iron (2−/1−/0) complex [(TPB)FeN₂]^2−/1−/0and reveled the factor which affects the reactivity of the metal–dinitrogen moiety.

Funder

Department of Science and Technology, Ministry of Science and Technology, India

Council of Scientific and Industrial Research, India

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/C9RA10481J

Reference58 articles.

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