Rotational spectrum and internal rotation barrier of 1-chloro-1,1-difluoroethane

被引：14

作者：

Alonso, JL ^{[1
]}

Lopez, JC ^{[1
]}

Blanco, S ^{[1
]}

Guarnieri, A ^{[1
]}

机构：

[1] CHRISTIAN ALBRECHTS UNIV KIEL,TECH FAC,INST HOCHFREQUENZTECH,KIEL,GERMANY

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1997年 / 182卷 / 01期

关键词：

D O I：

10.1006/jmsp.1996.7214

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The rotational spectra of 1-chloro-1,1-difluoroethane (HCFC-142b) has been investigated in the frequency region 8-115 GHz with Stark, waveguide Fourier transform (FTMW), and millimeter-wave spectrometers. Assignments in large frequency regions with the corresponding frequency measurements have been made for the ground and upsilon(18) = 1 (CH3 torsion) vibrational states of the Cl-35 isotopomer and for the mound state of the Cl-37 species. Accurate rotational, quartic centrifugal distortion, and quadrupole coupling constants have been determined from global fits considering all these states. Small A-E internal rotation splittings have been observed for the upsilon(18) = 1 vibrational slate using FTMW spectroscopy. The barrier height for the internal rotation of the methyl group has been determined to be 3751 (4) cal mol(-1), in disagreement with the previous microwave value of 4400 (100) cal mol(-1) reported by G. Graner and C. Thomas [J. Chem. Phys. 49, 4160-4167 (1968)]. (C) 1997 Academic Press.

引用

页码：148 / 162

页数：15

共 26 条

[21] INFRARED AND RAMAN SPECTRA OF FLUORINATED ETHANES .3. THE SERIES CH3-CF3, CH3-CF2CL, CH3-CFCL2, AND CH3-CCL3 [J].