High Resolution Rovibrational Spectroscopy of the ν6 and ν3 + ν7 Bands of H2CCCH+

被引：1
|
作者：
Domenech, Jose Luis [1 ]
Silva, Weslley G. D. P. [2 ]
Michael, Ernest A. [2 ]
Schlemmer, Stephan [2 ]
Asvany, Oskar [2 ]
机构：
[1] Inst Estruct Mat IEM, Madrid 28006, Spain
[2] Univ Cologne, Phys Inst 1, D-50937 Cologne, Germany
来源：
JOURNAL OF PHYSICAL CHEMISTRY A | 2024年 / 128卷 / 48期
关键词：
ASTRONOMICAL IDENTIFICATION; GROUND-STATE;
D O I：
10.1021/acs.jpca.4c03628
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：
The molecular ion H2CCCH+ has been further investigated in a 4 K cryogenic ion trap instrument employing the leak-out spectroscopy (LOS) method. Transitions within two perpendicular bands, the fundamental nu 6 (antisymmetric H-C-H stretch) and the combination band nu 3 + nu 7 (C C stretch and CH2 rock), have been measured in high resolution for the first time. The spectral analysis was aided by high level quantum chemical calculations and by our previous study of the parallel nu 1 and nu 3 + nu 5 bands []. The novel results presented here have allowed for a seventy-fold improvement on the accuracy of the value of the A 0 rotational constant of this near-prolate asymmetric top.
引用
收藏
页码：10322 / 10327
页数：6
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