globalchange  > 气候减缓与适应
DOI: 10.1016/j.jqsrt.2019.04.028
WOS记录号: WOS:000471207600002
论文题名:
Line list for NF3 molecule in the 1750-1950 cm(-1) region
作者: Rodina, Alena1; Egorov, Oleg1,2; Nikitin, Andrei1; Rey, Michael3; Serdyukov, Victor1; Sinitsa, Leonid1,2; Tashkun, Sergei1
通讯作者: Rodina, Alena
刊名: JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
ISSN: 0022-4073
EISSN: 1879-1352
出版年: 2019
卷: 232, 页码:10-19
语种: 英语
英文关键词: Trifluoride nitrogen ; NF3 ; FTIR spectroscopy ; Line intensities ; Line positions ; Ab initio, Potential energy surface ; Dipole moment surface ; Contact transformations ; Line list ; Global warming
WOS关键词: HIGH-RESOLUTION FTIR ; STATE ROTATIONAL SPECTRUM ; MIRS COMPUTER PACKAGE ; GROUND-STATE ; INFRARED-SPECTRUM ; CONTACT TRANSFORMATIONS ; MILLIMETER-WAVE ; K=3 SPLITTINGS ; DIPOLE-MOMENT ; (NF3)-N-14
WOS学科分类: Optics ; Spectroscopy
WOS研究方向: Optics ; Spectroscopy
英文摘要:

We report the line list for the 2v(3)(A(1),E) and v(1)+v(3) (E) strong bands of the NF3 molecule which is considered as long living greenhouse gas in the atmosphere with a significant radiative force potential. To construct the line list, the variational calculations based on the ab initio surfaces of the potential energy and dipole moment were combined with high-resolution data on line positions. The effective polyad model was developed for NF3 by the sixth-order contact transformation of the full rovibrational Hamiltonian. The theoretical parameters of the effective Hamiltonian were then refined by fitting to experimental transitions presented in literature. The parameters of the effective dipole moment were obtained from fitting to our ab initio line intensities. The results of the simulations are consistent with our Fourier Transform spectra within their uncertainty of 10%. (C) 2019 Elsevier Ltd. All rights reserved.


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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/124962
Appears in Collections:气候减缓与适应

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作者单位: 1.SB RAS, VE Zuev Inst Atmospher Opt, Lab Theoret Spect, 1 Akademician Zuev Sq, Tomsk 634055, Russia
2.Tomsk State Univ, 36 Lenin Ave, Tomsk 634050, Russia
3.UFR Sci, UMR CNRS 7331, Grp Spectrometrie Mol & Atmospher, BP 1039, F-51687 Reims 2, France

Recommended Citation:
Rodina, Alena,Egorov, Oleg,Nikitin, Andrei,et al. Line list for NF3 molecule in the 1750-1950 cm(-1) region[J]. JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER,2019-01-01,232:10-19
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