Теоретичнi та експериментальнi дослiдження кластерiв метанолу в низькотемпературних матрицях

Теоретичнi та експериментальнi дослiдження кластерiв метанолу в низькотемпературних матрицях

Molecular vibrational spectra of methanol in argon and nitrogen matrices have been studied. Since methanol belongs to a class of substances with hydrogen bonds, there is a possibility of forming molecular associations and clusters with various numbers of molecules. IR spectra of methanol in Ar and N...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Datum:2019
Hauptverfasser: Chernolevska, Ye. A., Doroshenko, I. Yu., Pogorelov, V. E., Vaskivskyi, Ye. V., Sablinskas, V., Balevicius, V., Isaev, A.
Format: Artikel
Sprache:English
Ukrainian
Veröffentlicht: Publishing house "Academperiodika" 2019
Schlagworte:
спектроскопiя
кластерна структура
метанол
матрична iзоляцiя
Online Zugang:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019144
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Назва журналу:Ukrainian Journal of Physics

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Ukrainian Journal of Physics
Beschreibung
Zusammenfassung:Molecular vibrational spectra of methanol in argon and nitrogen matrices have been studied. Since methanol belongs to a class of substances with hydrogen bonds, there is a possibility of forming molecular associations and clusters with various numbers of molecules. IR spectra of methanol in Ar and N2 matrices experimentally obtained in the temperature range from 10 to 50 K are compared with the results of computer simulation using the ab initio Car–Parrinello molecular dynamics (CPMD) method. The results obtained for small clusters in model calculations demonstrate a good correlation with experimental data for various matrices at the corresponding temperatures.

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