THE EFFECTS OF ISOMERISM ON THE VIBRATIONAL-SPECTRA AND THERMODYNAMIC CHARACTERISTICS OF BIURET IN THE GAS-PHASE

被引：7

作者：

KOROLEVICH, MV ^{[1
]}

LASTOCHKINA, VA ^{[1
]}

FRENKEL, ML ^{[1
]}

KABO, GYA ^{[1
]}

ZHBANKOV, RG ^{[1
]}

机构：

[1] BELORUSSIAN STATE UNIV,FAC CHEM,MINSK 220040,BELORUSSIA,USSR

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1991年 / 243卷 / 3-4期

关键词：

D O I：

10.1016/0022-2860(91)87040-O

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：

A theoretical study of the IR spectra of cis- and trans-isomers of biuret, based on coupled calculations of vibrational frequencies as a valence force field approximation and of absorption band intensities by the CNDO/2 method, is reported. Calculated thermodynamic functions for biuret agreed with experimental thermochemical data. For calculating the vibrations of an isolated biuret molecule, the experimental vapour-phase IR absorption spectra were used.

引用

页码：211 / 222

页数：12

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