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Information × Registration Number 0211U013077, 0111U005214 , R & D reports Title Spectral manifestations of nano-scale structure transformations in partly ordered liquids - liquid crystals and alcohols popup.stage_title Head Pogorelov Valeriy Yevgenijovych, Registration Date 16-12-2011 Organization Taras Shevchenko Kiev university popup.description2 FTIR spectra of monohydric alcohols (methanol, ethanol, propanol, isopropanol, butanol, tret-butanol) trapped in an argon matrix were registered. The gradual transformation of monomers (individaul alcohol molecules) into cluster structure occuring during matrix heating was shown. Quantum-chemical calculations of space structure and energetical parameters of the alcohol clusters as well as their vibrational spectra were carried out. the obtained values correlate with known literature data indicating the adequacy of the chosen model and give the possibility to interprete the obtained experimental data more accurately. Owing to the results of quantun-chemical calculations the assignment of all registered IR absorption bands of the alcohols was made, the bands which belong to monomers, different conformers of dimers and trimers, as well as clusters of higher order were determined. Product Description popup.authors Безручко Інна Володимирівна Голуб Павло Олександрович Дорошенко Ірина Юріївна Дорошенко Олена Петрівна Жовтобрюх Юрій Михайлович Чернолевська Єлизавета Анатоліївна popup.nrat_date 2020-04-02 Close