Global analysis of the Comet-tail system of 12C16O+

doi:10.1088/1674-1056/22/7/073302

中国物理B ›› 2013, Vol. 22 ›› Issue (7): 73302-073302.doi: 10.1088/1674-1056/22/7/073302

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Global analysis of the Comet-tail system of ¹²C¹⁶O⁺

邵旭萍^a, 赵敏^a, 杨晓华^{a b}

a School of Science, Nantong University, Nantong 226007, China;
b State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, China

收稿日期:2012-11-14 修回日期:2012-12-13 出版日期:2013-06-01 发布日期:2013-06-01
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11034002), the State Key Program for Basic Research of China (Grant No. 2011921602), the Natural Science Program of Nantong University, China, the State Key Laboratory of Precision Spectroscopy, China, and Qing Lan Project, China.

Global analysis of the Comet-tail system of ¹²C¹⁶O⁺

Shao Xu-Ping (邵旭萍)^a, Zhao Min (赵敏)^a, Yang Xiao-Hua (杨晓华)^{a b}

a School of Science, Nantong University, Nantong 226007, China;
b State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, China

Received:2012-11-14 Revised:2012-12-13 Online:2013-06-01 Published:2013-06-01
Contact: Yang Xiao-Hua E-mail:xhyang@ntu.edu.cn;xhyang@phy.ecnu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11034002), the State Key Program for Basic Research of China (Grant No. 2011921602), the Natural Science Program of Nantong University, China, the State Key Laboratory of Precision Spectroscopy, China, and Qing Lan Project, China.

摘要/Abstract

摘要： A global analysis of the ro-vibrational spectra of 19 bands in the comet-tail (A²Π_i-X²Σ⁺) system of the ¹²C¹⁶O⁺ cation is presented, and the precise molecular constants of the vibrational levels involved are obtained via a weighted nonlinear least-squares fitting procedure. Furthermore, the resultant precise equilibrium molecular constants enable us to achieve accurate Rydberg-Klein-Rees (RKR) potential curves for both the A and X states, yielding the accurate Franck-Condon factor and band origin of each band in this system.

关键词: CO⁺, molecular constants, comet-tail (A²Π_i-X²Σ⁺) system

Abstract: A global analysis of the ro-vibrational spectra of 19 bands in the comet-tail (A²Π_i-X²Σ⁺) system of the ¹²C¹⁶O⁺ cation is presented, and the precise molecular constants of the vibrational levels involved are obtained via a weighted nonlinear least-squares fitting procedure. Furthermore, the resultant precise equilibrium molecular constants enable us to achieve accurate Rydberg-Klein-Rees (RKR) potential curves for both the A and X states, yielding the accurate Franck-Condon factor and band origin of each band in this system.

Key words: CO⁺, molecular constants, comet-tail (A²Π_i-X²Σ⁺) system

中图分类号: (Molecular spectra)

33.20.-t

33.15.Mt (Rotation, vibration, and vibration-rotation constants)

邵旭萍, 赵敏, 杨晓华. Global analysis of the Comet-tail system of ¹²C¹⁶O⁺[J]. 中国物理B, 2013, 22(7): 73302-073302.

Shao Xu-Ping (邵旭萍), Zhao Min (赵敏), Yang Xiao-Hua (杨晓华). Global analysis of the Comet-tail system of ¹²C¹⁶O⁺[J]. Chin. Phys. B, 2013, 22(7): 73302-073302.

参考文献 27

[1]	Pluvinel A B and Baldet F 1909 Comput. Rend. 148 759
[2]	Rao K N 1950 Astrophys. J. 111 306
[3]	Krupenie P H 1966 The Band Spectrum of Carbon Monoxide (Washington: U. Govt. Print. Office)
[4]	Huber K P and Herzberg G 1979 Molecular Spectra and Molecular Structure Vol. IV (Princeton: D. Van Nostrand Company)
[5]	Coxon J A and Foster S C 1982 J. Mol. Spectrosc. 93 117
[6]	Brown R D, Dittman R G and McGilvery D C 1984 J. Mol. Spectrosc. 104 337
[7]	Haridass C, Prasad C V V and Paddi Reddy S 1992 Astrophys. J. 388 669
[8]	Haridass C, Prasad C V V and Paddi Reddy S 2000 J. Mol. Spectrosc. 199 180
[9]	Coxon J A, Kępa R and Piotrowska I 2010 J. Mol. Spectrosc. 262 107
[10]	Gudeman C S and Saykally R J 1984 Annu. Rev. Phys. Chem. 35 387
[11]	Wang R J, Chen Y Q, Cai P P, Lu J J, Bi Z Y, Yang X H and Ma L S 1999 Chem. Phys. Lett. 307 339
[12]	Yang X H, Chen Y Q, Cai P P, Wang R J and Lu J J 2000 Chin. J. Chem. Phys. 13 406
[13]	Yang X H, Wu Y D and Chen Y Q 2007 J. Mol. Spectrosc. 245 84
[14]	Zhuang H, Yang X H, Wu S H, Bi Z Y, Ma L S, Liu Y Y and Chen Y Q 2001 Mol. Phys. 99 1447
[15]	Wu Y D, Yang X H, Guo Y C and Chen Y Q 2008 J. Mol. Spectrosc. 248 81
[16]	Shao X P, Gong T L, Wu L and Yang X H 2011 J. Quant. Spectrosc. Ra. 112 1005
[17]	Li W, Yang X H, Gan Y J, Wu L, Guo Y C, Liu Y Y and Chen Y Q 2005 Spectrosc. Spect. Anal. 25 1250
[18]	Zhang X N, Shi D H, Sun J F and Zhu Z L 2011 Chin. Phys. B 20 043105
[19]	Wang J M, Sun J F and Shi D H 2010 Chin. Phys. B 19 113601
[20]	Shi D H, Niu X H, Sun J F and Zhu Z L 2012 Acta Phys. Sin. 61 093105 (in Chinese)
[21]	Wang J M, Sun J F, Shi D H, Zhu Z L and Li W T 2012 Acta Phys. Sin. 61 063104 (in Chinese)
[22]	Kepa R, Kocan A, Ostrowska-Kopeć M, Piotrowska-Domagala I and Zachwieja M 2004 J. Mol. Spectrosc. 228 66
[23]	Brown J M, Hougen J T, Huber K P, Johns J W C, Kopp I, Lefebvre-Brion H, Merer A J, Ramsay D A, Rostas J and Zare R N 1975 J. Mol. Spectrosc. 55 500
[24]	Brown J M, Colbourn E A, Watson J K G and Wayne F D 1979 J. Mol. Spectrosc. 74 294
[25]	Amiot C, Maillard J P and Chauville J 1981 J. Mol. Spectrosc. 87 196
[26]	Le Roy R J 1992 RKR1: A Computer Program Implementing the First-Order RKR Method for Determining Diatom Potential Energy Curves from Spectroscopic Constants, University of Waterloo Chemical Physics Research Report No. CP-425
[27]	Le Roy R J 2000 Level 7.1: A Computer Program for Solving the Radial Schrödinger Equation for Bound and Quasibound Levels, University of Waterloo Chemical Physics Research Report No. CP-642R

Global analysis of the Comet-tail system of ¹²C¹⁶O⁺

Global analysis of the Comet-tail system of ¹²C¹⁶O⁺

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献 27

相关文章 5

Metrics

本文评价

推荐阅读 0

[1]	叶佳, 汪海玲, 邓伦华. Absorption spectra and isotope shifts of the (2, 0), (3, 1), and (8, 5) bands of the A²Π_u–X²∑_g⁺ system of ¹⁵N₂⁺ in near infrared[J]. 中国物理B, 2017, 26(10): 103102-103102.
[2]	吴玲, 尤素萍, 邵旭萍, 陈钢进, 丁宁, 汪友梅, 杨晓华. Study on the A²Π_3/2u, B²Δ_3/2u, and X²Π_3/2g states of Cl₂⁺ including its isotopologues[J]. 中国物理B, 2015, 24(8): 83301-083301.
[3]	王杰敏, 孙金锋, 施德恒. Accurate ab initio study of low-lying electronic states of phosphorus nitride radical[J]. 中国物理B, 2010, 19(11): 113404-113601.
[4]	吴玲, 杨晓华, 陈扬骎. Isotopic effect of Cl₂⁺ rovibronic spectra in the A-X system[J]. 中国物理B, 2009, 18(7): 2724-2728.
[5]	刘煜炎, 刘效庸, 刘红平, 郭远清, 黄光明, 林洁丽, 高晖, 段传喜. GLOBAL ANALYSIS OF SPECTRA OF THE PO₂ RADICAL IN THE GAS PHASE[J]. 中国物理B, 2000, 9(9): 652-655.