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 cm 3 s -1. We provide analytical fits suitable for incorporation into astrochemical reaction databases.
- Authors:
-
[1];
[1];
[2]
- 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 Laboratory (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}
}
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Works referenced in this record:
High-resolution spectroscopy of the 22Πu←X4Σg− forbidden transitions of C2+
journal, October 2004
- Tarsitano, Christopher G.; Neese, Christopher F.; Oka, Takeshi
- The Journal of Chemical Physics, Vol. 121, Issue 13
Radiative association of He + 2 revisited
journal, April 2013
- Augustovičová, L.; Špirko, V.; Kraemer, W. P.
- Astronomy & Astrophysics, Vol. 553
Formation of Na-containing complex molecules in the gas phase in dense molecular clouds: quantum study of the Na+ + H2 and Na+ + D2 radiative association step
journal, March 2019
- Burdakova, Daria; Nyman, Gunnar; Stoecklin, Thierry
- Monthly Notices of the Royal Astronomical Society, Vol. 485, Issue 4
Dipole Polarizability of the Neutral Carbon Atom and the Dipole-Dipole Interaction between Carbon Atoms
journal, February 1972
- Miller, John H.; Kelly, Hugh P.
- Physical Review A, Vol. 5, Issue 2
Computational methods to study the formation of small molecules by radiative association
journal, July 2015
- Nyman, Gunnar; Gustafsson, Magnus; Antipov, Sergey V.
- International Reviews in Physical Chemistry, Vol. 34, Issue 3
Multireference CI calculations of radiative transition probabilities between low lying quartet states of the C2+ ion
journal, January 1986
- Rosmus, P.; Werner, H. -J.; Reinsch, E. -A.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 41, Issue 2
Valence configuration interaction study of the C 2 + cation
journal, March 2001
- Ballance, Connor P.; McLaughlin, Brendan M.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 34, Issue 7
Formation of Si2, C2, C2+ and N2+ by radiative association
journal, May 1997
- Andreazza, C. M.; Singh, P. D.
- Monthly Notices of the Royal Astronomical Society, Vol. 287, Issue 2
The radiative association of He+ and He and H(+) and H
journal, September 1993
- Stancil, P. C.; Babb, J. F.; Dalgarno, A.
- The Astrophysical Journal, Vol. 414
Molpro: a general-purpose quantum chemistry program package: Molpro
journal, July 2011
- Werner, Hans-Joachim; Knowles, Peter J.; Knizia, Gerald
- Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 2
On the temperature dependence of the rate coefficient of formation of C$_2^+$ from C + CH +
journal, May 2016
- Rampino, S.; Pastore, M.; Garcia, E.
- Monthly Notices of the Royal Astronomical Society, Vol. 460, Issue 3
Radiative association and inverse predissociation of oxygen atoms
journal, April 1995
- Babb, J. F.; Dalgarno, A.
- Physical Review A, Vol. 51, Issue 4
The Formation of Diatomic Molecules in Interstellar Clouds
journal, December 1972
- Solomon, P. M.; Klemperer, William
- The Astrophysical Journal, Vol. 178
SPATIALLY RESOLVED l -C 3 H + EMISSION IN THE HORSEHEAD PHOTODISSOCIATION REGION: FURTHER EVIDENCE FOR A TOP-DOWN HYDROCARBON CHEMISTRY
journal, February 2015
- Guzmán, V. V.; Pety, J.; Goicoechea, J. R.
- The Astrophysical Journal, Vol. 800, Issue 2
Reformulation and extension of Wigner‐Witmer and Mulliken's correlation rules for the spin and orbital states of diatomic molecules upon dissociation
journal, January 1973
- Chiu, Ying‐Nan
- The Journal of Chemical Physics, Vol. 58, Issue 2
Long-range interactions of ions with atoms having partially filled p subshells
journal, January 1977
- Gentry, W. Ronald; Giese, Clayton F.
- The Journal of Chemical Physics, Vol. 67, Issue 5
Theoretical study of the transition probabilities of the doubly-excited states E1.SIGMA.g+ of C2 and 22.SIGMA.g+ of C2+
journal, February 1992
- Bruna, Pablo J.; Wright, James S.
- The Journal of Physical Chemistry, Vol. 96, Issue 4
Theoretical prediction of the potential curves for the lowest‐lying states of the C 2 + molecular ion
journal, April 1981
- Petrongolo, Carlo; Bruna, Pablo J.; Peyerimhoff, Sigrid D.
- The Journal of Chemical Physics, Vol. 74, Issue 8
Dicarbon Formation in Collisions of Two Carbon Atoms
journal, April 2019
- Babb, James F.; Smyth, R. T.; McLaughlin, B. M.
- The Astrophysical Journal, Vol. 876, Issue 1
High-resolution laser-induced fluorescence spectrum of the B4Σu−-X4Σg− transition of C2+
journal, September 1995
- Boudjarane, K.; Carré, M.; Larzillière, M.
- Chemical Physics Letters, Vol. 243, Issue 5-6
Formation of carbon allotrope aerosol by colliding plasmas in an inertial fusion reactor
journal, January 2014
- Hirooka, Y.; Sato, H.; Ishihara, K.
- Nuclear Fusion, Vol. 54, Issue 2
The B ̃ 4 Σ − u – X ̃ 4 Σ − g electronic spectrum of C + 2
journal, April 1988
- Maier, John P.; Rösslein, Matthias
- The Journal of Chemical Physics, Vol. 88, Issue 8
Potential Energy Curves, Spectroscopic Parameters, and Spin–Orbit Coupling: A Theoretical Study on 24 Λ-S and 54 Ω States of C 2 + Cation
journal, February 2013
- Shi, Deheng; Niu, Xianghong; Sun, Jinfeng
- The Journal of Physical Chemistry A, Vol. 117, Issue 9
Static response properties of second-period atoms: coupled cluster calculations
journal, May 1998
- Das, A. K.; Thakkar, Ajit J.
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 31, Issue 10
Diffuse interstellar clouds as a chemical laboratory - The chemistry of diatomic carbon species
journal, March 1989
- Federman, S. R.; Huntress, W. T. , Jr.
- The Astrophysical Journal, Vol. 338
A photon dominated region code comparison study
journal, February 2007
- Röllig, M.; Abel, N. P.; Bell, T.
- Astronomy & Astrophysics, Vol. 467, Issue 1
Radiative lifetimes of the second negative system of O2+
journal, September 1984
- Wetmore, R. W.; Fox, J. L.; Dalgarno, A.
- Planetary and Space Science, Vol. 32, Issue 9
A spectroscopic study of the X̃4Σg− (ν=4–6) levels of C2+ using the stimulated emission pumping technique
journal, March 1990
- Celii, F. G.; Maier, J. P.
- Chemical Physics Letters, Vol. 166, Issue 5-6
The radiative association of O and O+
journal, August 1994
- Babb, J. F.; Fan, Zhuang; Dalgarno, A.
- Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 52, Issue 2