首次对\(^{12}C^{17}O^+\)分子光谱中\(B^2\Sigma^+\to X^2\Sigma^+\)体系进行光谱研究。

First spectroscopic studies of the B2Sigma+ --> X2Sigma+ system in the 12C17O+ molecule spectrum.

作者信息

Szajna W, Kepa R

机构信息

Atomic and Molecular Physics Laboratory, Institute of Physics, University of Rzeszów, 35-310 Rzeszów, Poland.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2006 Dec;65(5):1014-20. doi: 10.1016/j.saa.2006.01.022. Epub 2006 Aug 23.

DOI:10.1016/j.saa.2006.01.022

PMID:16931124

Abstract

The emission spectrum of the B2Sigma+ --> X2Sigma+ system in the 12C17O+ has been recorded at high resolution with conventional spectroscopic techniques. A graphite hollow cathode lamp filled with oxygen, enriched approximately 45% with the 17O2 isotope, has given strong spectra of hitherto unreported bands system of 12C17O+. Four bands, which form the 0-v('') (v('')=1 -4) progression, have been rotationally analysed with effective Hamiltonians of Brown [J. Mol. Spectrosc. 74 (1979) 294]. Next the rovibronic structure parameters, for the B2Sigma+ and X2Sigma+ states, have been determined from merge calculations. Finally, principal equilibrium molecular constants for the ground state: omegae=2186.032(26) cm(-1), omegae xe=14.7848(43) cm(-1), Be=1.927271(73) cm(-1) , alphae=1.8432(24) x 10(-2) cm(-1), De=6.018(26) x 10(-6) cm(-1), betae=1.11(92) x 10(-8) cm(-1) and the sigma(e)(B-->X)=45876.563(34) cm(-1) value of the 12CO17+ molecule have been derived for the first time in this investigation.

摘要

利用传统光谱技术在高分辨率下记录了(^{12}C^{17}O^+)中(B^2\Sigma^+\to X^2\Sigma^+)体系的发射光谱。一个填充有氧气且(^{17}O_2)同位素丰度约为(45%)的石墨空心阴极灯给出了迄今未报道的(^{12}C^{17}O^+)谱带体系的强光谱。已用布朗的有效哈密顿量[《分子光谱学杂志》74(1979)294]对构成(0 - v(''))（(v('') = 1 - 4)）跃迁的四个谱带进行了转动分析。接下来，通过合并计算确定了(B^2\Sigma^+)和(X^2\Sigma^+)态的振转电子结构参数。最后，在本研究中首次推导出了基态的主要平衡分子常数：(\omega_e = 2186.032(26)\ cm^{-1})，(\omega_e x_e = 14.7848(43)\ cm^{-1})，(B_e = 1.927271(73)\ cm^{-1})，(\alpha_e = 1.8432(24)\times10^{-2}\ cm^{-1})，(D_e = 6.018(26)\times10^{-6}\ cm^{-1})，(\beta_e = 1.11(92)\times10^{-8}\ cm^{-1})以及(^{12}CO^{17 +})分子的(\sigma_e(B\to X) = 45876.563(34)\ cm^{-1})值。