DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Journal Article · · Monthly Notices of the Royal Astronomical Society
 [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

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.

Research Organization:
Harvard-Smithsonian Center for Astrophysics, Cambridge, MA (United States); Pennsylvania State Univ., Reading, PA (United States); Univ. of Georgia, Athens, GA (United States)
Sponsoring Organization:
USDOE; National Science Foundation (NSF); National Aeronautics and Space Administration (NASA)
Grant/Contract Number:
PHY-1503615; NNX16AF09G
OSTI ID:
1523823
Journal Information:
Monthly Notices of the Royal Astronomical Society, Vol. 471, Issue 2; ISSN 0035-8711
Publisher:
Royal Astronomical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 11 works
Citation information provided by
Web of Science

References (36)

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
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
Computational methods to study the formation of small molecules by radiative association journal July 2015
Carbon Monoxide Formation in SN 1987A journal January 1999
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
The Van Der Waals Forces in Gases journal March 1931
Molecules in the ejecta of SN 1987A journal July 1990
Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide journal January 2003
The inner wind of IRC+10216 revisited: new exotic chemistry and diagnostic for dust condensation in carbon stars journal August 2012
The radiative association of He(+) and H journal December 1990
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
Radiative association of HeH2+ journal June 2003
The Radiative Association of C and S, C + and S, SI and O, and SI + and O journal October 1995
Formation of vibrationally excited diatomic molecules by stimulated radiative association: Theoretical calculations in H + 2 journal August 1979
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
Rate of Formation of Molecules by Radiative Association journal June 1951
Formation and Destruction of Silicon Monoxide in SN 1987A journal November 1996
Isotope effect in the formation of carbon monoxide by radiative association journal February 2013
Shape resonances in atom-atom collisions. I. Radiative association journal February 1972
The radiative association of C and O and C(+) and O journal January 1990
Reaction rate constant for radiative association of CF + journal January 2016
Moderately Long-Range Interatomic Forces journal October 1967
Chemical routes to dust formation in the ejecta of novae journal October 1989
Self-consistent quantum kinetic theory of diatomic molecule formation journal July 2015
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

Cited By (5)

Semiclassical methods for calculating radiative association rate constants for different thermodynamic conditions: Application to formation of CO, CN, and SiN journal June 2019
Photodissociation of CS from Excited Rovibrational Levels journal April 2018
Dicarbon Formation in Collisions of Two Carbon Atoms journal April 2019
Quadrupole Radiative Association in the Early Universe journal August 2019
Dicarbon formation in collisions of two carbon atoms text January 2019

Figures / Tables (11)