Transition Spectrum Intensities and Absorption Coefficients of Hydride BH2 Free Radical Molecule
WU Dong-Lan** , TAN Bin, ZHANG Xin-Qin, XIE An-Dong
College of Mathematic and Physical, Jinggangshan University, Ji'an 343009
Abstract ：We build a partition function model by product approximation first, then put the normal temperature calculated by moment square RV 2 , which has no rotational transition, approximately as a constant and applied to high temperature, and lastly program the compiler and compute the spectral line intensities and absorption coefficients of the 001-000 band for the hydride BH2 free radical molecule at several temperatures. The results show that the calculated values of total partition function agree with the data obtained from Gauss calculations and the fitted values by five factorial polynomials. Such excellent agreement has made it feasible to calculate the spectral line intensities and absorption coefficients at different temperatures. From the spectral figures at different temperatures, we find that they accord with the spectrum characteristic of asymmetric top molecules in some literature. This analysis has significance in measuring the high-temperature spectrum intensities of radical molecules by experiment.
收稿日期: 2012-04-20
出版日期: 2012-07-31
:
33.15.Mt
(Rotation, vibration, and vibration-rotation constants)
33.20.-t
(Molecular spectra)
33.70.-w
(Intensities and shapes of molecular spectral lines and bands)
[1] Parnis J M and Ozin G A 1989 J. Phys. Chem. 93 1220 1972 Chem. Phys. Lett. 14 616 1986 J. Chem. Phys. 84 3230 1989 J. Chem. Phys. 93 1215 1996 Chem. Phys. Lett. 260 433 2000 Chem. Phys. 252 1 2000 J. Chem. Phys. 113 9567 Aata. Phys. Sin. 50 1896 (in Chinese)1985 J. Phys. Chem. 89 2198 1988 J. Chem. Phys. 89 614 1988 Chem. Phys. Lett. 145 359 Aata Phys. Sin. 55 3048 (in Chinese)Aata. Phys. Sin. 55 4490 (in Chinese)2010 Chin. Phys. B 19 043301 2008 Chin. Phys. B 17 158 Molecular Spectra and Molecular Structure II: Infrared and Raman Spectra of Polyatomic Molecules (New York: Van Nostrand) p 762005 J. Quant. Spectrosc. Radiat. Transfer. 96 139 2003 J. Quant. Spectrosc. Radiat. Transfer. 82 401 1998 Mol. Phys. 65 1377 1988 J. Chem. Phys. 88 356 1999 J. Mol. Spectrosc. 193 15
[1]
.
[2]
.
[3]
JI Zhong-Hua;ZHANG Hong-Shan;WU Ji-Zhou;YUAN Jin-Peng;ZHAO Yan-Ting**;MA Jie;WANG Li-Rong;XIAO Lian-Tuan;JIA Suo-Tang
. Photoassociative Production and Detection of Ultracold Polar RbCs Molecules
[4]
ZHENG Rui;WANG Rui-Bo;LI Song;HUANG Guang-Ming;DUAN Chuan-Xi. Extended Measurement of the v2 (1- ←0+ ) Band of H3 O+ by Mid-Infrared Diode Laser Spectroscopy
[5]
WU Ling;ZHENG Li-Juan;KANIKI Kakule;CHEN Yang-Qin;YANG Xiao-Hua. Analysis of (1, 2) (1, 3) and (2, 3) Bands in the c3 IIu -b3 IIg System of P2
[6]
WANG Xiao-Lu;CHEN Shao-Hao;HE Chun-Long;LI Jia-Ming;. Recombination Process of Hydrogen Molecular Ions: An Application of Time-Dependent Wave Packet Dynamics Method
[7]
CHEN Shao-Hao;HE Chun-Long;CHEN Chao;LI Jia-Ming;. Vibrational Distribution of Hydrogen Molecular Ions in High-Energy Ionization Processes
[8]
XU Chao-Xiong;WU Ling;LIU Jin-Jun;WU Sheng-Hai;DUAN Chuan-Xi;CHEN Yang-Qin;LIU Yu-Yu;. Band (5, 0) in the Red System A2 II1 - X2 Σ+ of CN Studied by Optical Heterodyne Magnetic Rotation Enhanced Concentration Modulation Spectroscopy
[9]
LIU Yu-Yan;LIU Xiao-Yong;LIU Hong-Ping;GUO Yuan-Qing;HUANG Guang-Ming;LIN Jie-Li;GAO Hui. High Order Centrifugal Distortion Corrections to Energy Levels of Asymmetric Top Molecules
[10]
CHENG Ji-xin;WANG Xiao-gang;LIN Hai;ZHU Qing-shi. Symmetry Reduction and Rotational Re-quantization of Symmetric Top Molecules at Local Mode Limit
2012, Vol. 29 
