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Benzofuroxans: A Possible +100 Years Old Misunderstanding? / Galkina, Irina V.; Bakhtiyarov, Dmitriy I.; Romanov, Semen R. et al.

In: ChemPhysChem, 27.11.2024.

Research output: Contribution to journal › Article › peer-review

Harvard

Galkina, IV, Bakhtiyarov, DI, Romanov, SR, Usupova, LM, Bakhtiyarova, YV, Fan, H & Benassi, E 2024, 'Benzofuroxans: A Possible +100 Years Old Misunderstanding?', ChemPhysChem. https://doi.org/10.1002/cphc.202400831

APA

Galkina, I. V., Bakhtiyarov, D. I., Romanov, S. R., Usupova, L. M., Bakhtiyarova, Y. V., Fan, H., & Benassi, E. (2024). Benzofuroxans: A Possible +100 Years Old Misunderstanding? ChemPhysChem, [e202400831]. https://doi.org/10.1002/cphc.202400831

Vancouver

Galkina IV, Bakhtiyarov DI, Romanov SR, Usupova LM, Bakhtiyarova YV, Fan H et al. Benzofuroxans: A Possible +100 Years Old Misunderstanding? ChemPhysChem. 2024 Nov 27;e202400831. Epub 2024 Oct 28. doi: 10.1002/cphc.202400831

Author

Galkina, Irina V. ; Bakhtiyarov, Dmitriy I. ; Romanov, Semen R. et al. / Benzofuroxans: A Possible +100 Years Old Misunderstanding?. In: ChemPhysChem. 2024.

BibTeX

@article{da56f0e42f7c4f229e5a34a974482009,
title = "Benzofuroxans: A Possible +100 Years Old Misunderstanding?",
abstract = "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.",
keywords = "4,6-Dinitro-Benzofuroxans, Boulton-Katritzky, Electronic Structure, Molecular Topology, Rearrangement, Tautomerism",
author = "Galkina, {Irina V.} and Bakhtiyarov, {Dmitriy I.} and Romanov, {Semen R.} and Usupova, {Luiza M.} and Bakhtiyarova, {Yulia V.} and Haiyan Fan and Enrico Benassi",
note = "HF thanks Naza-rbayev University small grant Nr. 11022021FD2928. This workwas supported by the Kazan Federal University StrategicAcademic Leadership Program (“PRIORITY-2030”)",
year = "2024",
month = nov,
day = "27",
doi = "10.1002/cphc.202400831",
language = "English",
journal = "ChemPhysChem",
issn = "1439-4235",
publisher = "Wiley-Blackwell",

}

RIS

TY - JOUR

T1 - Benzofuroxans: A Possible +100 Years Old Misunderstanding?

AU - Galkina, Irina V.

AU - Bakhtiyarov, Dmitriy I.

AU - Romanov, Semen R.

AU - Usupova, Luiza M.

AU - Bakhtiyarova, Yulia V.

AU - Fan, Haiyan

AU - Benassi, Enrico

N1 - HF thanks Naza-rbayev University small grant Nr. 11022021FD2928. This workwas supported by the Kazan Federal University StrategicAcademic Leadership Program (“PRIORITY-2030”)

PY - 2024/11/27

Y1 - 2024/11/27

N2 - 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.

AB - 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.

KW - 4,6-Dinitro-Benzofuroxans

KW - Boulton-Katritzky

KW - Electronic Structure

KW - Molecular Topology

KW - Rearrangement

KW - Tautomerism

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85209670815&origin=inward&txGid=81fa1fa5f4dd459b0ed8d0e309277554

UR - https://www.webofscience.com/wos/woscc/full-record/WOS:001358904800001

UR - https://www.mendeley.com/catalogue/360574f9-c84b-3ab3-be0c-e6a8ae80caee/

U2 - 10.1002/cphc.202400831

DO - 10.1002/cphc.202400831

M3 - Article

C2 - 39463158

JO - ChemPhysChem

JF - ChemPhysChem

SN - 1439-4235

M1 - e202400831

ER -

ID: 61203761