Benzofuroxans: A Possible +100 Years Old Misunderstanding?
Galkina I.V. Bakhtiyarov D.I. Romanov S.R. Usupova L.M. Bakhtiyarova Y.V. Fan H. Benassi E.
1 February 2025John Wiley and Sons Inc
ChemPhysChem
2025#26Issue 3
Since 1912 benzofuroxans have been believed to exhibit a molecular structure characterised by the presence of two fused rings, i. e. a benzene ring and a pentatomic heterocycle containing a N−O−N fragment wherein one of the two N atoms is involved in a further N (Formula presented.) O bond, namely benzo[1,2-c]1,2,5-oxadiazole N-oxide. In this work, quantum chemical calculation results along with vibrational spectroscopic data raise fundamental questions about the electronic structure and the molecular topology of some 4,6-dinitro-derivatives of this class of compounds. An alternative interpretation is offered corroborated by the experimental vibrational and electronic spectra.
4,6-Dinitro-Benzofuroxans , Boulton-Katritzky , Electronic Structure , Molecular Topology , Rearrangement , Tautomerism
Text of the article Перейти на текст статьи
Department of Chemistry, Kazan Federal University, 18 Kremlyovskaya str., Kazan, 420008, Russian Federation
Department of Chemistry, Nazarbayev University, 53 Qabanbay batyr ave., Astana, 010000, Kazakhstan
Faculty of Natural Sciences, Novosibirsk State University, 1 Pirogov str., Novosibirsk, 630090, Russian Federation
Department of Chemistry
Department of Chemistry
Faculty of Natural Sciences
10 лет помогаем публиковать статьи Международный издатель
Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026