Spin-orbit quenching of the C+(2P) ion by collisions with para- and ortho-H2.
J Chem Phys
; 138(20): 204314, 2013 May 28.
Article
em En
| MEDLINE
| ID: mdl-23742482
ABSTRACT
Spin-orbit (de-)excitation of C(+)((2)P) by collisions with H2, a key process for astrochemistry, is investigated. Quantum-mechanical calculations of collisions between C(+) ions and para- and ortho-H2 have been performed in order to determine the cross section for the C(+) (2)P3∕2 â (2)P1∕2 fine-structure transition at low and intermediate energies. The calculation are based on new ab initio potential energy surfaces obtained using the multireference configuration interaction method. Corresponding rate coefficients were obtained for temperatures ranging from 5 to 500 K. These rate coefficients are compared to previous estimations, and their impact is assessed through radiative transfer computation. They are found to increase the flux of the (2)P3∕2 â (2)P1∕2 line at 158 µm by up to 30% for typical diffuse interstellar cloud conditions.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Teoria Quântica
/
Carbono
/
Hidrogênio
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2013
Tipo de documento:
Article
País de afiliação:
França