Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization; Journal of Molecular Modeling; Vol. 21

Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization

Λεπτομέρειες βιβλιογραφικής εγγραφής
Parent link:Journal of Molecular Modeling: Scientific Journal
Vol. 21.— 2015.— [136 [9 p.]
Συγγραφή απο Οργανισμό/Αρχή: Национальный исследовательский Томский политехнический университет (ТПУ) Институт физики высоких технологий (ИФВТ) Кафедра общей и неорганической химии (ОНХ)
Άλλοι συγγραφείς: Baryshnikov G. V. Gleb Vladimirovich, Karaush N. N. Nataljya Nikolaevna, Minaev B. F. Boris Filippovich, Valiev R. R. Rashid Rinatovich
Περίληψη:Title screen
A series of heterocyclic and hydrocarbon [8]circulenes (also named completely annelated tetraphenylenes) were studied by the NICS and GIMIC methods in order to describe their aromatic properties from the magnetic criterion point of view. According to calculations all the hetero[8]circulene molecules demonstrate the bifacial aromatic/antiaromatic nature. The inner octatetraene core of the studied [8]circulenes is characterized by the presence of paratropic (“antiaromatic”) ring currents, whereas the outer macrocycle constructed from the five- and six-membered rings possesses the magnetically-induced diatropic (“aromatic”) ring current. The hydrocarbon [8]circulenes studied in this work consist of a similar planar cyclooctatetraene core but they exhibit a rather different balance of magnetically-induced ring currents.
Режим доступа: по договору с организацией-держателем ресурса
Γλώσσα:Αγγλικά
Έκδοση: 2015
Θέματα:
электронный ресурс
труды учёных ТПУ
Διαθέσιμο Online:http://dx.doi.org/10.1007/s00894-015-2683-4
Μορφή: Ηλεκτρονική πηγή Κεφάλαιο βιβλίου
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=644804

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