Predicting valence tautomerism in diverse cobalt–dioxolene complexes: elucidation of the role of ligands and solvent-Reference-Cited by-同舟云学术

Predicting valence tautomerism in diverse cobalt–dioxolene complexes: elucidation of the role of ligands and solvent

Published:2024 Issue:15 Volume:15 Page:5694-5710
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

M. Zahir F. Zahra¹^ORCID,Hay Moya A.¹^ORCID,Janetzki Jett T.¹^ORCID,Gable Robert W.¹^ORCID,Goerigk Lars¹^ORCID,Boskovic Colette¹^ORCID

Affiliation:

1. School of Chemistry, University of Melbourne, Victoria 3010, Australia

Abstract

An inexpensive DFT-based strategy has been identified for the prediction of valence tautomerism in neutral and cationic Co–dioxolene complexes, including prediction of the interconversion temperature and variation with solvent.

Funder

Australian Research Council

National Computational Infrastructure

University of Melbourne

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D3SC04493A

Reference115 articles.

1. Exploiting chemistry and molecular systems for quantum information science

2. Optically addressable molecular spins for quantum information processing

3. Molecular magnetism: from chemical design to spin control in molecules, materials and devices

4. Molecular (Nano) Magnets as Test Grounds of Quantum Mechanics

5. Concepts in the design and engineering of single-molecule electronic devices

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