Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization / G. V. Baryshnikov [et al.]

Уровень набора: Journal of Molecular Modeling, Scientific JournalАльтернативный автор-лицо: Baryshnikov, G. V., Gleb Vladimirovich;Karaush, N. N., Nataljya Nikolaevna;Minaev, B. F., Boris Filippovich;Valiev, R. R., chemist, Assistant of Tomsk Polytechnic University, 1983-, Rashid RinatovichКоллективный автор (вторичный): Национальный исследовательский Томский политехнический университет (ТПУ), Институт физики высоких технологий (ИФВТ), Кафедра общей и неорганической химии (ОНХ)Язык: английский.Страна: .Резюме или реферат: 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..Примечания о наличии в документе библиографии/указателя: [References: p. 50 tit.].Аудитория: .Тематика: электронный ресурс | труды учёных ТПУ Ресурсы он-лайн:Щелкните здесь для доступа в онлайн
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[References: p. 50 tit.]

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.

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