English

Reaction Rate Constant for Radiative Association of CF$^+$

Chemical Physics 2015-10-01 v1

Abstract

Reaction rate constants and cross sections are computed for the radiative association of carbon cations (C+\text{C}^+) and fluorine atoms (F\text{F}) in their ground states. We consider reactions through the electronic transition 11ΠX1Σ+1^1\Pi \rightarrow X^1\Sigma^+ and rovibrational transitions on the X1Σ+X^1\Sigma^+ and a3Πa^3\Pi potentials. Semiclassical and classical methods are used for the direct contribution and Breit--Wigner theory for the resonance contribution. Quantum mechanical perturbation theory is used for comparison. A modified formulation of the classical method applicable to permanent dipoles of unequally charged reactants is implemented. The total rate constant is fitted to the Arrhenius--Kooij formula in five temperature intervals with a relative difference of <3%<3\:\%. The fit parameters will be added to the online database KIDA. For a temperature of 1010 to 250K250\:\text{K}, the rate constant is about 1021cm3s110^{-21}\:\text{cm}^3\text{s}^{-1}, rising toward 1016cm3s110^{-16}\:\text{cm}^3\text{s}^{-1} for a temperature of 30,000K30{,}000\:\text{K}.

Keywords

Cite

@article{arxiv.1509.09309,
  title  = {Reaction Rate Constant for Radiative Association of CF$^+$},
  author = {Jonatan Öström and Dmitry S. Bezrukov and Gunnar Nyman and Magnus Gustafsson},
  journal= {arXiv preprint arXiv:1509.09309},
  year   = {2015}
}

Comments

7 pages, 3 figures