VIBRATIONAL-SPECTRA, CONFORMATIONAL STABILITIES, AND BARRIERS TO INTERNAL-ROTATION OF THE DIFLUOROACETYL HALIDES

被引：4

作者：

GUIRGIS, GA

PHAN, H

DAVIS, JF

DURIG, JR

机构：

[1] Department of Chemistry and Biochemistry, University of South Carolina, Columbia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1993年 / 293卷

关键词：

D O I：

10.1016/0022-2860(93)80004-F

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：

From a combination of infrared and Raman spectral data and ab initio calculations, the conformational stabilities have been determined for the difluoroacetyl halides in vapor, liquid and solid phases.

引用

页码：11 / 14

页数：4

共 4 条

[1] RAMAN AND INFRARED-SPECTRA, CONFORMATIONAL STABILITY, BARRIERS TO INTERNAL-ROTATION, ABINITIO CALCULATIONS AND VIBRATIONAL ASSIGNMENT OF DICHLOROACETYL FLUORIDE [J].

DURIG, JR ;

BERGANA, MM ;

PHAN, HV .

JOURNAL OF RAMAN SPECTROSCOPY, 1991, 22 (03) :141-154

[2] CONFORMATIONAL STABILITY, BARRIERS TO INTERNAL-ROTATION, ABINITIO CALCULATIONS AND VIBRATIONAL ASSIGNMENT OF DICHLOROACETYL CHLORIDE [J].

DURIG, JR ;

BERGANA, MM ;

PHAN, HV .

JOURNAL OF MOLECULAR STRUCTURE, 1991, 242 :179-205

[3]

FRISCH M, 1986, GUASSIAN 86

[4] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J].

PULAY, P .

MOLECULAR PHYSICS, 1969, 17 (02) :197-&

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