Выпуски

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2012

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том 10 / 

выпуск 1

 



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И. Ю. Дорошенко, Г. А. Пицевич*, В. Е. Погорелов
«Спектрально-структурные характеристики наноразмерныхкластеров трет-бутилового спирта в аргоновой матрице»
0203–0215 (2012)

PACS numbers: 36.40.Mr, 61.20.Ja, 61.25.Em, 61.46.Bc, 78.30.Cp, 78.40.Dw, 82.80.Gk

Work is concerned with the detailed analysis of the tempera-ture dependence of the experimentally registered IR spectra of tert-butanol (2-methyl-propan-2-ol) trapped within the Ar ma-trix in a spectral range 500–1500 cm?1. For the interpretation of the obtained experimental data, the methods of quantum chemistry simulation of optimal space structure and vibra-tional spectra of different nanoscale clusters of tert-butyl alcohol are used. The gradual changes of the cluster structure with an Ar matrix temperature increasing are revealed.

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