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Please use this identifier to cite or link to this item: https://elib.bsu.by/handle/123456789/108647
Title: Анализ колебательного спектра тетразола
Authors: Сушко, Н. И.
Матвеева, Н. А.
Макаревич, Н. И.
Ивашкевич, Олег Анатольевич
Гапоник, Павел Николаевич
Keywords: ЭБ БГУ::ЕСТЕСТВЕННЫЕ И ТОЧНЫЕ НАУКИ::Химия
Issue Date: 1990
Publisher: Институт физики им. Б.И.Степанова Национальной академии наук Беларуси
Citation: Журнал прикладной спектроскопии. – 1990. – Т. 53, № 2. – С. 323–327.
Abstract: IR absorption spectra of tetrazole and of its N-deuteroanalog are investigated. Calculation of frequencies and forms of normal oscillations of these compounds is made. Computation of vibrational spectra frequencies is carried out by using the computer-controlled program for calculating normal oscillations of large molecules. Calculation of the geometrical tetrazole structure is made on the basis of the semiempirical MO LKAO variant in the MPDP approximation. An information on the collection of fragments and on their proportion in each normal oscillation of tetrazole and N-deuterotetrazole is obtained which allows one to refine the interpretation of tetrazole absorption bands. Deformation oscillations of the NH-groups are established to develop in the region of 400—1200 cm"1. Changes in the IR absorption spectrum during transition from tetrazole to its N-deuteroanalog are described.
URI: http://elib.bsu.by/handle/123456789/108647
ISSN: 0514-7506
Appears in Collections:Статьи сотрудников НИИ ФХП

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