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On the gas-phase formation of the HCO radical: accurate quantum study of the H plus CO radiative association
被引:12
|作者:
Stoecklin, Thierry
[1
]
Halvick, Philippe
[1
]
Yu, Hua-Gen
[2
]
Nyman, Gunnar
[2
]
Ellinger, Yves
[3
]
机构:
[1] Univ Bordeaux, CNRS, UMR5255, Inst Sci Mol, F-33405 Talence, France
[2] Univ Gothenburg, Dept Chem & Mol Biol, SE-41296 Gothenburg, Sweden
[3] Univ Paris 06, Lab Chim Theor, CNRS, UMR7616, F-75005 Paris, France
关键词:
astrochemistry;
molecular data;
molecular processes;
scattering;
ISM: molecules;
DISCRETE VARIABLE REPRESENTATION;
TRIATOMIC-MOLECULES;
ACTIVATION-ENERGY;
HYDROGEN-ATOMS;
SOLID CO;
METHANOL;
ICE;
PHOTODISSOCIATION;
FORMALDEHYDE;
SCATTERING;
D O I:
10.1093/mnras/stx3348
中图分类号:
P1 [天文学];
学科分类号:
0704 ;
摘要:
We present the first quantum study of the radiative association of H and CO to form the HCO molecule within a time-independent approach. We use a recently published 3D potential energy surface of spectroscopic accuracy and two 3D dipole moment surfaces, which were calculated for this study. We discuss the variation of the radiative association cross-section as a function of both the rotational angular momentum of CO and the total angular momentum and use the uniform J-shifting approach to obtain the global radiative association rate coefficient. The effect of the saddle point separating the HCO molecule from the H+CO reactants and the main features of the radiative association cross-sections are analysed and discussed. The calculated rate coefficient is below 10-23 cm3 molecule-1 s-1 for temperatures lower than 30 K, and increases up to 5 × 10-20 cm3 molecule-1 s-1 at T = 300 K. These results demonstrate that the gas-phase H+CO radiative association cannot be the process at the origin of the sequence leading to the formation of methanol in a cold interstellar medium. © 2017 The Author(s).
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页码:2545 / 2552
页数:8
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