Radiative Association of Atomic and Ionic Carbon
Abstract
We present calculated cross sections and rate coefficients for the formation of the dicarbon cation (C$$^+_2$$) by the radiative association process in collisions of a C(3$P$) atom and a C+(2$P$o) ion. Molecular structure calculations for a number of low-lying doublet and quartet states of C$$^+_2$$ are used to obtain the potential energy surfaces and transition dipole moments coupling the states of interest, substantially increasing the available molecular data for C$$^+_2$$ . Using a quantum-mechanical method, we explore a number of allowed transitions and determine those contributing to the radiative association process. The calculations extend the available data for this process down to the temperature of 100 K, where the rate coefficient is found to be about 2 Χ 10-18 cm3 s-1. We provide analytical fits suitable for incorporation into astrochemical reaction databases.
- Authors:
-
- Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States)
- Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States); Queen's Univ., Belfast, Northern Ireland (United Kingdom)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1577836
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- The Astrophysical Journal (Online)
- Additional Journal Information:
- Journal Name: The Astrophysical Journal (Online); Journal Volume: 884; Journal Issue: 2; Journal ID: ISSN 1538-4357
- Publisher:
- Institute of Physics (IOP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 79 ASTRONOMY AND ASTROPHYSICS; Astronomy & Astrophysics
Citation Formats
Babb, James F., Smyth, R. T., and McLaughlin, B. M. Radiative Association of Atomic and Ionic Carbon. United States: N. p., 2019.
Web. doi:10.3847/1538-4357/ab43cb.
Babb, James F., Smyth, R. T., & McLaughlin, B. M. Radiative Association of Atomic and Ionic Carbon. United States. doi:10.3847/1538-4357/ab43cb.
Babb, James F., Smyth, R. T., and McLaughlin, B. M. Tue .
"Radiative Association of Atomic and Ionic Carbon". United States. doi:10.3847/1538-4357/ab43cb. https://www.osti.gov/servlets/purl/1577836.
@article{osti_1577836,
title = {Radiative Association of Atomic and Ionic Carbon},
author = {Babb, James F. and Smyth, R. T. and McLaughlin, B. M.},
abstractNote = {We present calculated cross sections and rate coefficients for the formation of the dicarbon cation (C$^+_2$) by the radiative association process in collisions of a C(3$P$) atom and a C+(2$P$o) ion. Molecular structure calculations for a number of low-lying doublet and quartet states of C$^+_2$ are used to obtain the potential energy surfaces and transition dipole moments coupling the states of interest, substantially increasing the available molecular data for C$^+_2$ . Using a quantum-mechanical method, we explore a number of allowed transitions and determine those contributing to the radiative association process. The calculations extend the available data for this process down to the temperature of 100 K, where the rate coefficient is found to be about 2 Χ 10-18 cm3 s-1. We provide analytical fits suitable for incorporation into astrochemical reaction databases.},
doi = {10.3847/1538-4357/ab43cb},
journal = {The Astrophysical Journal (Online)},
number = 2,
volume = 884,
place = {United States},
year = {2019},
month = {10}
}
Web of Science
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