Comment on "Ab initio study: the potential energy curves and rovibrational spectrum of low-lying excited states of HCl+ cation' (Molecular Physics, 114:19, 2817-2823)

被引:1
作者
Luis Domenech, Jose [1 ]
机构
[1] CSIC, IEM, Dept Mol Phys, Madrid, Spain
基金
欧洲研究理事会;
关键词
Spin-orbit coupling; line intensities;
D O I
10.1080/00268976.2017.1317860
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In a recent article, Y. Liu, X. Cheng, H. Cheng, J. Cheng and X. Song [Mol. Phys., 114:19, 2817-2823] report on the calculation of potential energy curves and the derivation of spectroscopic constants and line intensities for the lowest energy electronic states of HCl+. There are several shortcomings in the article; the most notable being the incorrect ordering of the (2)(3/2) and (/2) state energies, erroneous selection rules, which lead to the absence of a Q-branch in their predicted spectra, incorrect Holn-London factors, and a missing appendix.
引用
收藏
页码:1465 / 1466
页数:2
相关论文
共 7 条
[1]  
Kovacs I., 1969, ROTATIONAL STRUCTURE, P127
[2]   Ab initio study: the potential energy curves and ro-vibrational spectrum of low-lying excited states of HCl+ cation [J].
Liu, Yajun ;
Cheng, Xinlu ;
Cheng, Huajun ;
Cheng, Junxia ;
Song, Xiaoshu .
MOLECULAR PHYSICS, 2016, 114 (19) :2817-2823
[3]  
Ochkin V. N., 2009, SPECTROSCOPY LOW TEM, P570
[4]   Submillimeter, millimeter, and microwave spectral line catalog [J].
Pickett, HM ;
Poynter, RL ;
Cohen, EA ;
Delitsky, ML ;
Pearson, JC ;
Muller, HSP .
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 1998, 60 (05) :883-890
[5]   THEORETICAL-STUDY OF HCL+ - POTENTIAL CURVES, RADIATIVE LIFETIMES, AND PHOTODISSOCIATION CROSS-SECTIONS [J].
PRADHAN, AD ;
KIRBY, KP ;
DALGARNO, A .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (12) :9009-9023
[6]   RE-EXAMINATION OF SPIN-ROTATION CONSTANT FOR 2PI STATES - A-X BAND SYSTEM OF HCL+ [J].
SAENGER, KL ;
ZARE, RN ;
MATHEWS, CW .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (02) :216-230
[7]   EMISSION-SPECTRA OF HCL-35(+), HCL-37(+), DCL-35(+), AND DCL-37(+) IN REGION 2700-4100 A [J].
SHEASLEY, WD ;
MATHEWS, CW .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 47 (03) :420-439