De-excitation rates of the newly discovered C5H+ in collision with He

被引:1
|
作者
Khadri, F. [1 ]
Elabidi, H. [2 ]
Hammami, K. [1 ]
机构
[1] Univ Tunis El Manar, Fac Sci, Dept Phys, LSAMA, Tunis 1060, Tunisia
[2] Umm Al Qura Univ, Coll Appl Sci, Dept Phys, Makkah Al Mukarramah 24382, Saudi Arabia
关键词
molecular data; scattering; ISM: molecules; L-C3H+; SPECTRUM;
D O I
10.1093/mnras/stad1188
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
Collisional excitation of C5H+ by He was performed by mean of state-of-the-art methods. A high level of theory quantum chemical calculations were made to determine the interaction potential energy surface of C5H+ with helium. The new two-dimensional potential energy surface obtained from the RCCSD(T)-F12 ab initio approach associated with aug-cc-pVTZ basis sets, presents two minima below its dissociation limit with well depths of -101 . 8 and -100 . 2 cm(-1) . In order to derive accurate physical conditions from rotational transitions of the recently discovered C5H+ molecule in Taurus molecular cloud (TMC-1), rate coefficients calculations are performed. The C5H+((XS+)-S-1)-He de-excitation rates are obtained after averaging cross-sections for thermal temperature below 100 K. The integral cross-sections are computed with the close-coupling quantum time-independent formalism for E = 520 cm(-1) and J = 15. The new collisional data will allow accurate determination of the C5H+ abundance and will help to understand the chemistry of carbon chain ions in the interstellar gas.
引用
收藏
页码:4038 / 4042
页数:5
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