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Spin-orbit quenching of the C + ( 2 P ) ion by collisions with para - and ortho -H 2
- Source :
- Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2013, 138 (20), pp.204314. ⟨10.1063/1.4807311⟩
- Publication Year :
- 2013
- Publisher :
- HAL CCSD, 2013.
-
Abstract
- International audience; Spin-orbit (de-)excitation of C+(2P) 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+ 2P3/2 → 2P1/2 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 2P3/2 → 2P1/2 line at 158 μm by up to 30% for typical diffuse interstellar cloud conditions.
- Subjects :
- Ions
[PHYS]Physics [physics]
Astrochemistry
010304 chemical physics
Chemistry
Interstellar cloud
Ab initio
General Physics and Astronomy
Multireference configuration interaction
01 natural sciences
7. Clean energy
Potential energy
Carbon
Ion
13. Climate action
Ab initio quantum chemistry methods
0103 physical sciences
Radiative transfer
Quantum Theory
Physical and Theoretical Chemistry
Atomic physics
010303 astronomy & astrophysics
Hydrogen
Subjects
Details
- Language :
- English
- ISSN :
- 00219606 and 10897690
- Database :
- OpenAIRE
- Journal :
- Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2013, 138 (20), pp.204314. ⟨10.1063/1.4807311⟩
- Accession number :
- edsair.doi.dedup.....e47a30566b7df7d005ac17922a91d971
- Full Text :
- https://doi.org/10.1063/1.4807311⟩