Synthesis, crystal structure, EPR, and DFT studies of an unusually distorted vanadium(<scp>ii</scp>) complex-Reference-Cited by-同舟云学术

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Synthesis, crystal structure, EPR, and DFT studies of an unusually distorted vanadium(ii) complex

Published:2022 Issue:32 Volume:51 Page:12031-12036
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Charles Philip¹²,Gaspard Mallory E.¹²,Alvarez Santiago³^ORCID,Ziegler Micah S.⁴^ORCID,Baldansuren Amgalanbaatar¹²,Armstrong William H.⁵^ORCID,Lakshmi K. V.¹²^ORCID,Bonitatibus Peter J.¹^ORCID

Affiliation:

1. Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY 12180, USA

2. Baruch ‘60 Center for Biochemical Solar Energy Research, Rensselaer Polytechnic Institute, Troy, NY 12180, USA

3. Department de Química Inorgànica i Orgànica i Institut de Química Teòrica i Computacional, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain

4. Institute for Data, Systems and Society, Massachusetts Institute of Technology, Cambridge, MA 02139, USA

5. Department of Chemistry, Boston College, Chestnut Hill, MA 02467, USA

Abstract

Hyperfine coupling constants predicted by DFT in the most highly distorted four-coordinate d3 (VII) ion exhibit exceptional agreement with EPR.

Funder

National Science Foundation

U.S. Department of Energy

Boston College

Generalitat de Catalunya

Ministerio de Asuntos Económicos y Transformación Digital, Gobierno de España

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/DT/D2DT02392J

Reference38 articles.

1. Nitrogen fixation in solution

2. Nitrogen fixation

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