Issue 13, 2023
From the journal:

Organic Chemistry Frontiers

Galvinoxyl-inspired dinitronyl nitroxide: structural, magnetic, and theoretical studies†

Takuya Kanetomo, ORCID logo *a   Sayaka Ono,a   Yusuke Fukushima,a   Yuta Takenouchia  and  Masaya Enomoto ORCID logo *a  

* Corresponding authors

a Department of Chemistry, Faculty of Science Division 1, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo, Japan
E-mail: kanetomo@rs.tus.ac.jp

Abstract

A novel galvinoxyl-inspired dinitronyl nitroxide (1) has been synthesized. Structural analysis revealed that 1 exhibited a resonance structure, resulting from p-benzoquinonediimine N,N′-dioxide and N-phenyl nitroxide moieties. The magnetic study revealed an intramolecular exchange-coupling constant J/kB of −761(3) K in H = −J(S1·S2 + S2·S3), indicating a ground doublet state. Theoretical calculations suggested not only the strong intramolecular antiferromagnetic coupling but also a unique electron configuration owing to a remarkable spin polarization effect.

Graphical abstract: Galvinoxyl-inspired dinitronyl nitroxide: structural, magnetic, and theoretical studies

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Article information

DOI
https://doi.org/10.1039/D3QO00591G
Article type
Research Article
Submitted
21 Apr 2023
Accepted
12 May 2023
First published
16 May 2023
This article is Open Access
Creative Commons BY-NC license

Org. Chem. Front., 2023,10, 3193-3200

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Galvinoxyl-inspired dinitronyl nitroxide: structural, magnetic, and theoretical studies

T. Kanetomo, S. Ono, Y. Fukushima, Y. Takenouchi and M. Enomoto, Org. Chem. Front., 2023, 10, 3193 DOI: 10.1039/D3QO00591G

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