Rotational spectra of CF+ and 13CF+: accurate rest frequencies and spectroscopic parameters

被引:8
作者
Cazzoli, G. [1 ]
Cludi, L. [1 ]
Puzzarini, C. [1 ]
Gauss, J. [1 ,2 ]
机构
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
[2] Johannes Gutenberg Univ Mainz, Inst Phys Chem, D-55099 Mainz, Germany
关键词
molecular data; methods: laboratory; methods: data analysis; techniques: spectroscopic; ISM: molecules; radio lines: ISM; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; LASER SPECTROSCOPY; ISOTOPE DEPENDENCE; MILLIMETER; CONSTANTS; STATES; BORON; MODEL; CCL+;
D O I
10.1051/0004-6361/200913057
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
Context. The astrophysical relevance of the fluoromethylidynium ion and its importance for the interstellar chemistry of fluorine motivated the present laboratory spectroscopic investigation of both (CF+)-C-12 and the corresponding C-13-containing isotopologue, (CF+)-C-13. Aims. This investigation has been carried out to provide accurate rest frequencies for future (radioastronomical) observations, to improve the accuracy of the values for the spectroscopic parameters available in the literature for CF+, and to provide them for the first time for (CF+)-C-13. Methods. Rotational spectra of CF+ and (CF+)-C-13 were recorded in the millimeter- and submillimeter-wave frequency ranges. Their investigation was supplemented by high-level quantum-chemical computations using state-of-the-art coupled-cluster techniques. Results. We report the most accurate ground-state rotational parameters available so far for CF+ and (CF+)-C-13. Conclusions. The ground-state rotational parameters as well as the rest frequencies of (CF+)-C-13 will be useful for future observational purposes with the aim of improving the knowledge of fluorine interstellar chemistry.
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页数:5
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