Line Position and Line Intensity Modelings of H218O up to the First Triad and J =20

被引:1
作者
Coudert, Laurent H. [1 ]
Mikhailenko, Semen [2 ]
Campargue, Alain [3 ]
Mellau, Georg Ch. [4 ]
机构
[1] Univ Paris Saclay, Inst Sci Mol Orsay, CNRS, F-91405 Orsay, France
[2] Russian Acad Sci, VE Zuev Inst Atmospher Opt, Lab Theoret Spect, SB, 1 Academician Zuev Sq, Tomsk 634055, Russia
[3] Univ Grenoble Alpes, CNRS, LIPhy, Grenoble, France
[4] Justus Liebig Univ Giessen, Phys Chem Inst, Giessen, Germany
关键词
analysis; anomalous centrifugal distortion; (H2O)-O-18; high-resolution spectroscopy; line intensity; line position; vibration-rotation transition; water molecule; CENTRIFUGAL-DISTORTION COEFFICIENTS; ASYMMETRIC-TOP MOLECULES; LYING ROTATIONAL LEVELS; ENERGY-LEVELS; 010; STATES; MICROWAVE-SPECTRUM; EMISSION-SPECTRUM; WATER MOLECULE; CM(-1); FREQUENCY;
D O I
10.1063/5.0152187
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Line position and line intensity analyses are carried out for the (H2O)-O-18 isotopic species of the water molecule. Both datasets involve the five lowest lying vibrational states. For the line position analysis, the dataset includes infrared and far infrared transitions recorded in this work using high-temperature Fourier transform emission spectroscopy. Also included are already published infrared, far infrared, microwave, terahertz, Doppler-free combination differences, and kHz accuracy lines. The fitting is carried out with the bending-rotation approach and allows us to reproduce 12 858 line positions involving levels with J = 20 and K-a = 18, with a unitless standard deviation of 1.9, varying 207 spectroscopic parameters. For the line intensity analysis, far infrared line intensities measured in this work using Fourier transform spectroscopy in addition to previously measured line intensities are fitted. 5612 line intensities are accounted for with a unitless standard deviation of 1.5. The results from both analyses are used to build a line list for atmospherical purposes, spanning the 2-5000 cm(-1) spectral range and containing 7593 lines. This line list and calculated energies and line intensities are compared to those already published.
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页数:14
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