Low-temperature rate constants for rotational excitation and de-excitation of C3(X1Σg+) by collisions with He (1s)

被引：22

作者：

Ben Abdallah, D. ^{[1
]}

Hammami, K. ^{[1
]}

Najar, F. ^{[1
]}

Jaidane, N. ^{[1
]}

Ben Lakhdar, Z. ^{[1
]}

Senent, M. L. ^{[2
]}

Chambaud, G. ^{[3
]}

Hochlaf, M. ^{[3
]}

机构：

[1] Univ Tunis El Manar, Fac Sci, Dept Phys, Lab Spect Atom Mol & Applicat, Tunis 1060, Tunisia

[2] CSIC, Inst Estructura Mat, Dept Astrofis Mol & Infrarroja, E-28006 Madrid, Spain

[3] Univ Paris Est, CNRS, FRE 3160, Lab Modelisat & Simulat Multiechelle MSME, F-77454 Marne La Vallee, France

来源：

ASTROPHYSICAL JOURNAL | 2008年 / 686卷 / 01期

关键词：

astrochemistry; infrared : ISM; ISM : molecules; molecular data;

D O I：

10.1086/587979

中图分类号：

P1 [天文学];

学科分类号：

0704 ;

摘要：

The low-temperature rotational (de-) excitation of C-3(X-1 Sigma(+)(g)) by collisions with He (S-1) is studied using an ab initio potential energy surface (PES). This PES has been calculated using the single-and double-excitation coupled-cluster approach with noniterative perturbational treatment of triple excitations [CCSD(T)] and the augmented correlation-consistent triple-zeta basis set (aug-cc-pVTZ) with bond functions. This PES is then incorporated in full close-coupling quantum scattering calculations for collision energies between 0.1 and 50 cm(-1) in order to deduce the rate constants for rotational levels of C-3 up to j = 10, covering the temperature range 5-15 K.

引用

页码：379 / 383

页数：5

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