Aggregation of molecules in liquid pyridine and its solutions: Raman spectra and quantum-chemical calculations

被引：11

作者：

Tukhvatullin, F. H. ^{[1
]}

Hudayberdiev, B. G. ^{[1
]}

Jumabaev, A. ^{[1
]}

Hushvaktov, H. A. ^{[1
]}

Absanov, A. A. ^{[1
]}

机构：

[1] Samarkand State Univ, Samarkand 140104, Uzbekistan

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2010年 / 155卷 / 01期

关键词：

Pyridine; Propan-2-ol; H-aggregates; Hydrogen bond; Raman spectra; Triple mixture; SPECTROSCOPY; PROPAN-2-OL; WIDTH;

D O I：

10.1016/j.molliq.2010.05.015

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In solutions of pyridine-propan-2-ol the ring vibration band of the hydrogen-bonded aggregates (H-aggregates) is shifted towards greater frequencies and changes its position with the change of pyridine concentration. The application of the mixture diluting method in a large amount of a neutral solvent (triple mixture) allows one to "resolve" the aggregates band structure. The observed doublet structure of the band is connected with the presence of two types of H-aggregates in liquid mixture. Quantum-chemical calculations confirm the high-frequency shift of 992 cm(-1) band of pyridine in the formation of aggregates with propan-2-ol. Similar calculations for isolated aggregates of pyridine-methyl alcohol show that several types of aggregates are possible including closed three-molecular H-aggregates of pyridine molecule with two molecules of methyl alcohol. Calculations show also that the pyridine molecules can form among themselves a weak dimer aggregate with two intermolecular hydrogen bonds. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：67 / 70

页数：4

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