New quantum assignments and analysis of high-resolution H212CO spectra in the 3700-4450-4450 cm-1

被引:0
作者
Nikitin, A. V. [1 ]
Rodina, A. A. [1 ]
Protasevich, A. E. [1 ]
Manceron, L. [2 ]
Rey, M. [3 ]
Tyuterev, V. G. [1 ,4 ]
机构
[1] Russian Acad Sci, VE Zuev Inst Atmospher Opt, 1 Akademichesky Ave, Tomsk 634055, Russia
[2] Synchrotron SOLEIL, AILES Beamline, St Aubin BP48,Lorme Merisiers, F-91192 Gif Sur Yvette, France
[3] Univ Reims, Grp Spectrometrie Mol & Atmospher, CNRS, UMR 6089,UFR Sci, BP 1039, F-51697 Reims, France
[4] Natl Res Tomsk State Univ, Tomsk 634050, Russia
关键词
High resolutions spectra; Dipole moment; Formaldehyde; Vibration-rotation states; Infrared absorption; Effective hamiltonian; POTENTIAL-ENERGY SURFACE; QUARTIC FORCE-FIELD; LINE LISTS; ABSORPTION-SPECTROSCOPY; (CH4)-C-12 SPECTRA; DIPOLE-MOMENT; FORMALDEHYDE; INTENSITIES; BANDS; METHANE;
D O I
10.1016/j.jqsrt.2024.109180
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Four spectra of formaldehyde in natural isotopic abundance in the 3700-5200 cm(-1) region were recorded at low temperature 160-166 K at Synchrotron SOLEIL for various pressures. Line positions and intensities were retrieved by non-linear least-squares curve-fitting procedures in the range 3700-4450 cm(-1) and analyzed using ab initio based effective Hamiltonian and line intensities computed using new ab initio dipole moment surface. A new measured line list contains positions and intensities for 6177 features. Refined parameters of effective Hamiltonian were fitted to all assigned line positions with the RMS deviations of 0.001 cm(-1). Updated line lists include intensity values based on ab initio variational calculations which were subsequently empirically optimized. Comparison of our theoretical simulation with previously available data as well as with high-resolution and low-resolution experimental spectra are reported.
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页数:11
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