Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding; CrystEngComm; Vol. 25 - iss. 44

Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding; CrystEngComm; Vol. 25 - iss. 44

Detalles Bibliográficos
Parent link:CrystEngComm.— .— London: Royal Society of Chemistry
Vol. 25 - iss. 44.— 2023.— P. 6152-6161
Otros Autores: Shurikov M. K. Matvey Konstantinovich, Tretjyakov E. V. Evgeny Viktorovich, Petunin P. V. Pavel Vasilievich, Votkina D. E. Darjya Evgenjevna, Romanenko G, V. Galina Vladislavovna, Bogomyakov A. S. Artem Stepanovich, Burguera S. Sergi, Frontera A. Antonio, Kukushkin V. Y. Vadim Yurjevich, Postnikov P. S. Pavel Sergeevich
Sumario:Novel nitronyl nitroxides, namely 2-(3-iodoethynylphenyl)- and 2-(4-iodoethynylphenyl)-4,4,5,5-tetramethyl-imidazoline-3-oxyl-1-oxides, were prepared by condensation of appropriate aldehydes with 2,3-bis(hydroxylamino)-2,3-dimethylbutane followed by oxidative treatment with NaIO4. Crystal and molecular structures of the obtained paramagnets were studied by single-crystal X-ray diffraction. In the crystals, the radicals are assembled into zigzag chains in which the radical building blocks are linked by intermolecular I⋯N–O halogen bonding. Magnetic analyses revealed that in both nitronyl nitroxides, the radicals are weakly coupled. Nonetheless, spin–spin interactions in the 3-iodoethynyl isomer are antiferromagnetic, and the coupling is stronger than that in the 4-iodoethynyl derivative, in which the exchange interaction is ferromagnetic. DFT calculations in combination with MEP, NCIplot, and QTAIM analyses were used to evaluate and characterize the structure-directing halogen bonding interactions observed in the solid state of both compounds.
Текстовый файл
Lenguaje:inglés
Publicado: 2023
Materias:
self-assembly
Iodoacetylenyl-substituted
nitronyl nitroxides
halogen
труды учёных ТПУ
электронный ресурс
Acceso en línea:https://doi.org/10.1039/D3CE00735A
Formato: Electrónico Capítulo de libro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672703

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