title: Reaction rate constant for radiative association of CF(.).
abstract: Reaction rate constants and cross sections are computed for the radiative association of carbon cations (C(+)) and fluorine atoms (F) in their ground states. We consider reactions through the electronic transition 1(1)Π → X(1)Σ(+) and rovibrational transitions on the X(1)Σ(+) and a(3)Π 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%. The fit parameters will be added to the online database KIDA. For a temperature of 10-250 K, the rate constant is about 10(-21) cm(3) s(-1), rising toward 10(-16) cm(3) s(-1) for a temperature of 30,000 K.
authors.affiliation: Applied Physics, Division of Materials Science, Department of Engineering Science and Mathematics, Luleå University of Technology, 97187 Luleå, Sweden.
authors.forename: Jonatan
authors.initials: J
authors.lastname: Öström
authors.affiliation: Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow, 119991, Russia.
authors.forename: Dmitry S
authors.initials: DS
authors.lastname: Bezrukov
authors.affiliation: Department of Chemistry and Molecular Biology, University of Gothenburg, 41296 Gothenburg, Sweden.
authors.forename: Gunnar
authors.initials: G
authors.lastname: Nyman
authors.affiliation: Applied Physics, Division of Materials Science, Department of Engineering Science and Mathematics, Luleå University of Technology, 97187 Luleå, Sweden.
authors.forename: Magnus
authors.initials: M
authors.lastname: Gustafsson