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

Takuya Kanetomo, Sayaka Ono, Yusuke Fukushima, Yuta Takenouchi, Masaya Enomoto

研究成果: Article査読

2 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)3193-3200
ページ数8
ジャーナルOrganic Chemistry Frontiers
10
13
DOI
出版ステータスPublished - 16 5月 2023

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