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Title: Rate constants for the formation of SiO by radiative association

Abstract

Accurate molecular data for the low-lying states of SiO are computed and used here to calculate rate constants for radiative association (RA) of Si and O. Einstein A-coefficients are also calculated for transitions between all of the bound and quasi-bound levels for each molecular state. The radiative widths are used together with elastic tunnelling widths to define effective RA rate constants which include both direct and indirect (inverse pre-dissociation) formation processes. The indirect process is evaluated for two kinetic models which represent limiting cases for astrophysical environments. The first case scenario assumes an equilibrium distribution of quasi-bound states and would be applicable whenever collisional and/or radiative excitation mechanisms are able to maintain the population. The second case scenario assumes that no excitation mechanisms are available which corresponds to the limit of zero radiation temperature and zero atomic density. Rate constants for SiO formation in realistic astrophysical environments would presumably lie between these two limiting cases.

Authors:
 [1];  [1]; ORCiD logo [2];  [3];  [4]
  1. Pennsylvania State Univ., Reading, PA (United States). Dept. of Physics
  2. Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States). Inst. for Theoretical Atomic, Molecular and Optical Physics (ITAMP)
  3. Univ. of Georgia, Athens, GA (United States). Dept. of Physics and Astronomy. Center for Simulational Physics
  4. Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States). Inst. for Theoretical Atomic, Molecular and Optical Physics (ITAMP); Queen's Univ., Belfast, Northern Ireland (United Kingdom). Centre for Theoretical Atomic Molecular and Optical Physics (CTAMOP). School of Mathematics and Physics
Publication Date:
Research Org.:
Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States); Pennsylvania State Univ., Reading, PA (United States); Univ. of Georgia, Athens, GA (United States)
Sponsoring Org.:
USDOE; National Science Foundation (NSF); National Aeronautic and Space Administration (NASA)
OSTI Identifier:
1523823
Grant/Contract Number:  
PHY-1503615; NNX16AF09G
Resource Type:
Accepted Manuscript
Journal Name:
Monthly Notices of the Royal Astronomical Society
Additional Journal Information:
Journal Volume: 471; Journal Issue: 2; Journal ID: ISSN 0035-8711
Publisher:
Royal Astronomical Society
Country of Publication:
United States
Language:
English
Subject:
astrochemistry; molecular data; molecular processes; scattering; ISM: mole-cules

Citation Formats

Cairnie, M., Forrey, R. C., Babb, J. F., Stancil, P. C., and McLaughlin, B. M. Rate constants for the formation of SiO by radiative association. United States: N. p., 2017. Web. doi:10.1093/mnras/stx1715.
Cairnie, M., Forrey, R. C., Babb, J. F., Stancil, P. C., & McLaughlin, B. M. Rate constants for the formation of SiO by radiative association. United States. doi:10.1093/mnras/stx1715.
Cairnie, M., Forrey, R. C., Babb, J. F., Stancil, P. C., and McLaughlin, B. M. Sat . "Rate constants for the formation of SiO by radiative association". United States. doi:10.1093/mnras/stx1715. https://www.osti.gov/servlets/purl/1523823.
@article{osti_1523823,
title = {Rate constants for the formation of SiO by radiative association},
author = {Cairnie, M. and Forrey, R. C. and Babb, J. F. and Stancil, P. C. and McLaughlin, B. M.},
abstractNote = {Accurate molecular data for the low-lying states of SiO are computed and used here to calculate rate constants for radiative association (RA) of Si and O. Einstein A-coefficients are also calculated for transitions between all of the bound and quasi-bound levels for each molecular state. The radiative widths are used together with elastic tunnelling widths to define effective RA rate constants which include both direct and indirect (inverse pre-dissociation) formation processes. The indirect process is evaluated for two kinetic models which represent limiting cases for astrophysical environments. The first case scenario assumes an equilibrium distribution of quasi-bound states and would be applicable whenever collisional and/or radiative excitation mechanisms are able to maintain the population. The second case scenario assumes that no excitation mechanisms are available which corresponds to the limit of zero radiation temperature and zero atomic density. Rate constants for SiO formation in realistic astrophysical environments would presumably lie between these two limiting cases.},
doi = {10.1093/mnras/stx1715},
journal = {Monthly Notices of the Royal Astronomical Society},
number = 2,
volume = 471,
place = {United States},
year = {2017},
month = {7}
}

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Works referenced in this record:

The Low Lying Electronic States of SiO
journal, December 1976


The spectrum of SiO in the vacuum ultraviolet region
journal, May 1973


The kinetic theory of H2 dissociation
journal, July 1983

  • Lepp, S.; Shull, J. M.
  • The Astrophysical Journal, Vol. 270
  • DOI: 10.1086/161149

Photodissociation and chemistry of N 2 in the circumstellar envelope of carbon-rich AGB stars
journal, August 2014


A chemical study of the inner winds of asymptotic giant branch stars
journal, September 2006


Master Equation Studies of the Collisional Excitation and Dissociation of H 2 Molecules by H Atoms
journal, April 1996

  • Martin, P. G.; Schwarz, D. H.; Mandy, M. E.
  • The Astrophysical Journal, Vol. 461
  • DOI: 10.1086/177053

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

Carbon Monoxide Formation in SN 1987A
journal, January 1999

  • Gearhart, Rob A.; Wheeler, J. Craig; Swartz, Douglas A.
  • The Astrophysical Journal, Vol. 510, Issue 2
  • DOI: 10.1086/306588

Sturmian theory of three-body recombination: Application to the formation of H 2 in primordial gas
journal, November 2013


The low-lying electronic states of SiO
journal, August 2016


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

The Van Der Waals Forces in Gases
journal, March 1931


Molecules in the ejecta of SN 1987A
journal, July 1990

  • Lepp, S.; Dalgarno, A.; McCray, R.
  • The Astrophysical Journal, Vol. 358
  • DOI: 10.1086/168981

Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide
journal, January 2003

  • Chattopadhyaya, Surya; Chattopadhyay, Anjan; Das, Kalyan Kumar
  • The Journal of Physical Chemistry A, Vol. 107, Issue 1
  • DOI: 10.1021/jp021845v

The radiative association of He(+) and H
journal, December 1990

  • Zygelman, B.; Dalgarno, A.
  • The Astrophysical Journal, Vol. 365
  • DOI: 10.1086/169475

Radiative association in Li+H revisited: the role of quasi-bound states
journal, May 2003


MRCI study on the spectroscopic parameters and molecular constants of the X1Σ+, a3Σ+, A1Π and C1Σ− electronic states of the SiO molecule
journal, February 2012

  • Shi, Deheng; Li, Wentao; Sun, Jinfeng
  • Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 87
  • DOI: 10.1016/j.saa.2011.11.017

Radiative association of HeH2+
journal, June 2003

  • Mrugała, Felicja; Špirko, Vladimír; Kraemer, Wolfgang P.
  • The Journal of Chemical Physics, Vol. 118, Issue 23
  • DOI: 10.1063/1.1573184

The Radiative Association of C and S, C + and S, SI and O, and SI + and O
journal, October 1995

  • Andreazza, C. M.; Singh, P. D.; Sanzovo, G. C.
  • The Astrophysical Journal, Vol. 451
  • DOI: 10.1086/176274

Formation of vibrationally excited diatomic molecules by stimulated radiative association: Theoretical calculations in H + 2
journal, August 1979

  • Ramaker, David E.; Peek, James M.
  • The Journal of Chemical Physics, Vol. 71, Issue 4
  • DOI: 10.1063/1.438536

Chemistry and distribution of daughter species in the circumstellar envelopes of O-rich AGB stars
journal, March 2016


RECOMMENDED THERMAL RATE COEFFICIENTS FOR THE C + H 3 + REACTION AND SOME ASTROCHEMICAL IMPLICATIONS
journal, November 2016


DISSOCIATIVE RECOMBINATION MEASUREMENTS OF HCl + USING AN ION STORAGE RING
journal, October 2013


The metal and dust yields of the first massive stars
journal, October 2015

  • Marassi, Stefania; Schneider, Raffaella; Limongi, Marco
  • Monthly Notices of the Royal Astronomical Society, Vol. 454, Issue 4
  • DOI: 10.1093/mnras/stv2267

Rate of Formation of Molecules by Radiative Association
journal, June 1951


Formation and Destruction of Silicon Monoxide in SN 1987A
journal, November 1996

  • Liu, Weihong; Dalgarno, A.
  • The Astrophysical Journal, Vol. 471, Issue 1
  • DOI: 10.1086/177982

Isotope effect in the formation of carbon monoxide by radiative association
journal, February 2013

  • Antipov, Sergey V.; Gustafsson, Magnus; Nyman, Gunnar
  • Monthly Notices of the Royal Astronomical Society, Vol. 430, Issue 2
  • DOI: 10.1093/mnras/sts615

Shape resonances in atom-atom collisions. I. Radiative association
journal, February 1972

  • Bain, R. A.; Bardsley, J. N.
  • Journal of Physics B: Atomic and Molecular Physics, Vol. 5, Issue 2
  • DOI: 10.1088/0022-3700/5/2/024

The radiative association of C and O and C(+) and O
journal, January 1990

  • Dalgarno, A.; Du, M. L.; You, J. H.
  • The Astrophysical Journal, Vol. 349
  • DOI: 10.1086/168355

Reaction rate constant for radiative association of CF +
journal, January 2016

  • Öström, Jonatan; Bezrukov, Dmitry S.; Nyman, Gunnar
  • The Journal of Chemical Physics, Vol. 144, Issue 4
  • DOI: 10.1063/1.4940216

Moderately Long-Range Interatomic Forces
journal, October 1967


Chemical routes to dust formation in the ejecta of novae
journal, October 1989

  • Rawlings, J. M. C.; Williams, D. A.
  • Monthly Notices of the Royal Astronomical Society, Vol. 240, Issue 3
  • DOI: 10.1093/mnras/240.3.729

Self-consistent quantum kinetic theory of diatomic molecule formation
journal, July 2015

  • Forrey, Robert C.
  • The Journal of Chemical Physics, Vol. 143, Issue 2
  • DOI: 10.1063/1.4926325

Formation of carbon monoxide by radiative association: a quantum dynamical study: Formation of CO by radiative association
journal, May 2011


Uncertainties in H 2 and HD chemistry and cooling and their role in early structure formation
journal, August 2008