Please use this identifier to cite or link to this item: http://essuir.sumdu.edu.ua/handle/123456789/64085
Title: Possible route of the merocyanine-spiropyran transition
Authors: Kovalenko, O.A.
Belous, D.A.
Lopatkin, Yurii Mykhailovych
Kondratenko, P.O.
Keywords: quantum-mechanical research
квантово-механічне дослідження
квантово-механическое исследование
high-tech device
високотехнологічний пристрій
высокотехнологичное устройство
spiropranan
спіропіран
спиропиран
Issue Year: 2017
Publisher: Sumy State University
Citation: Possible route of the merocyanine-spiropyran transition [Текст] / О.А. Kovalenko, D.А. Belous, Yu.M. Lopatkin, P.O. Kondratenko // Фізика, електроніка, електротехніка : матеріали та програма науково-технічної конференції, м. Суми, 17-21 квітня 2017 р. / Відп. за вип. С.І. Проценко. – Суми : СумДУ, 2017. – С. 54.
Abstract: Modern nanotechnological revolution is based on the use of bistable molecules and molecular ensembles as basic elements of high-tech devices. In this work quantum-mechanical investigations of the potential surface merocyanine-spiropyran transformation were carried out. Under dark conditions, such transition will be possible when potential barrier with height ~ 0.7 eV is overcomed. Rotating the phenyl moiety relative to the plane of the molecule by 90 ° without simultaneously changing all other parameters of the molecule (optimization of the molecular structure) increases the molecule's energy by 1.376 eV.
URI: http://essuir.sumdu.edu.ua/handle/123456789/64085
Type: Theses
Appears in Collections:Наукові видання (ЕлІТ)

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