HYDROGEN-BOND ENERGY OF CH3CN-HCL BY FTIR PHOTOMETRY

被引：14

作者：

BALLARD, L ^{[1
]}

HENDERSON, G ^{[1
]}

机构：

[1] EASTERN ILLINOIS UNIV,DEPT CHEM,CHARLESTON,IL 61920

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1991年 / 95卷 / 02期

关键词：

D O I：

10.1021/j100155a030

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：

The temperature dependence of an IR absorption band of CH3CN-HCI is characterized by FTIR photometry. The heat of dimer formation at 41-degrees-C obtained from this data, DELTA-H(D) = -21.8 +/- 1.7 kJ/mol. is used to calculate the equilibrium hydrogen bond dissociation energy, D(c) = 21.8 +/- 1.7 kJ/mol. These results are compared with recent ab initio theoretical calculations and empirical estimates based on centrifugal distortion parameters.

引用

页码：660 / 663

页数：4

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