Analyses and modeling of the 12CH4 spectrum at 80 K between 6539 and 6800 cm-1

被引：23

作者：

Nikitin, A. V. ^{[1
,2
]}

Rey, M. ^{[3
]}

Tashkun, S. A. ^{[1
]}

Kassi, S. ^{[4
,5
]}

Mondelain, D. ^{[4
,5
]}

Campargue, A. ^{[4
,5
]}

Tyuterev, Vl G. ^{[3
]}

机构：

[1] Russian Acad Sci, Lab Theoret Spect, VE Zuev Inst Atmospher Opt, Tomsk 634055, Russia

[2] Tomsk State Univ, Tomsk 634050, Russia

[3] Univ Reims, UFR Sci, CNRS, Grp Spectrometrie Mol & Atmospher,UMR 6089, F-51687 Reims 2, France

[4] Univ Grenoble Alpes, LIPhy, F-38000 Grenoble, France

[5] CNRS, LIPhy, F-38000 Grenoble, France

来源：

JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER | 2016年 / 168卷

关键词：

High resolution spectra; Methane; Icosad of (CH4)-C-12; High-order Contact Transformations; Vibration-rotation states; Intensities; Titan; EMPIRICAL LINE PARAMETERS; DIPOLE-MOMENT SURFACES; MIRS COMPUTER PACKAGE; M TRANSPARENCY WINDOW; POTENTIAL-ENERGY; ROVIBRATIONAL SPECTRA; TETRAHEDRAL MOLECULES; GLOBAL ANALYSIS; METHANE; REGION;

D O I：

10.1016/j.jqsrt.2015.09.014

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Accurate rovibrational analysis of the lower part of the Icosad (CH4)-C-12 spectrum in the 6539-6800 cm(-1) region is reported. The analysis uses the WKLMC experimental line list previously obtained in Grenoble by Cavity Ring Down Spectroscopy and Differential Absorption Spectroscopy at T=80 K. Based on an ab initio potential energy surface, the full Hamiltonian of methane nuclear motion was reduced to an effective Hamiltonian using high-order Contact Transformations method with a subsequent empirical optimization of parameters. About 2445 experimental line positions were fitted with RMS standard deviations of 0.005 cm(-1) and 1644 line intensities were modeled using effective dipole moment with the RMS deviation of 11.5%. Twenty five vibrational energy levels of the lower part of the Icosad were determined. (C) 2015 Elsevier Ltd. All rights reserved.

引用

页码：207 / 216

页数：10

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