skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]
  1. Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States)
  2. 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}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Save / Share:

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
  • DOI: 10.1063/1.1787493

Radiative association of He + 2 revisited
journal, April 2013


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
  • DOI: 10.1093/mnras/stz795

Dipole Polarizability of the Neutral Carbon Atom and the Dipole-Dipole Interaction between Carbon Atoms
journal, February 1972


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
  • DOI: 10.1080/0144235X.2015.1072365

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
  • DOI: 10.1016/0368-2048(86)85009-5

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
  • DOI: 10.1088/0953-4075/34/7/304

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
  • DOI: 10.1093/mnras/287.2.287

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
  • DOI: 10.1086/173113

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
  • DOI: 10.1002/wcms.82

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
  • DOI: 10.1093/mnras/stw1116

Radiative association and inverse predissociation of oxygen atoms
journal, April 1995


The Formation of Diatomic Molecules in Interstellar Clouds
journal, December 1972

  • Solomon, P. M.; Klemperer, William
  • The Astrophysical Journal, Vol. 178
  • DOI: 10.1086/151799

SPATIALLY RESOLVED l -C 3 H + EMISSION IN THE HORSEHEAD PHOTODISSOCIATION REGION: FURTHER EVIDENCE FOR A TOP-DOWN HYDROCARBON CHEMISTRY
journal, February 2015


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
  • DOI: 10.1063/1.435072

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
  • DOI: 10.1021/j100183a027

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
  • DOI: 10.1063/1.441648

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
  • DOI: 10.3847/1538-4357/ab1088

High-resolution laser-induced fluorescence spectrum of the B4Σu−-X4Σg− transition of C2+
journal, September 1995


Formation of carbon allotrope aerosol by colliding plasmas in an inertial fusion reactor
journal, January 2014


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
  • DOI: 10.1063/1.453774

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
  • DOI: 10.1021/jp312670v

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
  • DOI: 10.1088/0953-4075/31/10/011

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
  • DOI: 10.1086/167187

A photon dominated region code comparison study
journal, February 2007


Radiative lifetimes of the second negative system of O2+
journal, September 1984


A spectroscopic study of the X̃4Σg− (ν=4–6) levels of C2+ using the stimulated emission pumping technique
journal, March 1990


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
  • DOI: 10.1016/0022-4073(94)90006-X