INTRAMOLECULAR HYDROGEN-BOND AND MOLECULAR-CONFORMATION .1. EFFECT OF PRESSURE AND TEMPERATURE ON THE INFRARED-SPECTRA OF 4-HYDROXY-4-METHYLPENTAN-2-ONE (DIACETONE ALCOHOL) IN DILUTE-SOLUTIONS

被引:11
作者
KAMIYA, N [1 ]
SEKIGAWA, T [1 ]
IKAWA, S [1 ]
机构
[1] HOKKAIDO UNIV,FAC SCI,DEPT CHEM,SAPPORO,HOKKAIDO 060,JAPAN
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1993年 / 89卷 / 03期
关键词
D O I
10.1039/ft9938900489
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
Infrared spectra of 4-hydroxy-4-methylpentan-2-one in dilute solutions in carbon tetrachloride and in carbon disulfide have been measured at various pressures and temperatures. The overlapping OH stretching bands of the intramolecularly hydrogen-bonded OH and hydrogen-bond-free OH were resolved by least-squares fitting. From the temperature and pressure dependence of the band intensities, changes in the enthalpy, entropy and partial molar volume due to a break of an intramolecular hydrogen bond have been obtained. Both the changes in the enthalpy and in the partial molar volume are fairly well reproduced by a dielectric model of solvation combined with molecular mechanics calculations.
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收藏
页码:489 / 493
页数:5
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