High resolution analysis of the ν7 and ν9 bands of DCOOH

被引：11

作者：

Baskakov, OI

Lohilahti, J

Horneman, VM

机构：

[1] Oulu Univ, Dept Phys Sci, FIN-900014 Oulu, Finland

[2] Kharkov Natl Univ, Fac Quantum Radiophys, UA-610077 Kharkov, Ukraine

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 2003年 / 219卷 / 02期

关键词：

formic acid; DCOOH; microwave; FTIR; high resolution; rotation-vibration analysis;

D O I：

10.1016/S0022-2852(03)00098-5

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 7(1) and 9(1) vibrational states of deuterated species of formic acid molecule DCOOH have been recorded by a FTIR spectrometer in the region 450-820 cm(-1) at a resolution of 0.00125 cm(-1) and a millimeter wave spectrometer. In the analysis microwave transitions from literature were used in addition to 14835 assigned IR and 114 millimeter wave lines in the 71 and 91 vibrational states. The analysis resulted in band origins, rotational, centrifugal distortion, and eight interaction parameters of the Coriolis coupled 7(1) and 9(1) vibrational states. RMS deviation of the fit was 0.000176 cm(-1) for the IR data and the maximum values of J and K-a quantum numbers in the fit were 64, 28 and 64, 30 for 7(1) and 9(1) states, respectively. (C) 2003 Elsevier Science (USA). All rights reserved.

引用

页码：191 / 199

页数：9

共 14 条

[11] New high-resolution analysis of the ν7and ν9 fundamental bands of trans-formic acid by Fourier transform infrared and millimeter-wave spectroscopy [J].