Rate coefficient expressions for reactions of molecules in 2Π electronic states at low temperatures

Autor:	A. G. Wickham, David C. Clary
Rok vydání:	1993
Předmět:	Chemistry General Physics and Astronomy Thermodynamics Linear molecular geometry Electronic structure Chemical reaction Ion Reaction rate constant Quadrupole Molecule Physics::Chemical Physics Physical and Theoretical Chemistry Perturbation theory Atomic physics
Zdroj:	The Journal of Chemical Physics. 98:420-426
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.464635
Popis:	Analytical rate coefficient expressions are derived at low temperatures for the fast reactions of a 2Π molecule with each of a structureless ion, a 2Π molecule, and a 1Π molecule. The procedure, based on classical capture theory, involves perturbation theory and simple long-range electrostatic potential terms for the various interactions. The open-shell nature of the reactant molecules is fully considered. The predictions made are contrasted with those quoted previously for the equivalent reactions involving 1Σ molecules and interesting differences in the temperature dependencies of the rate coefficient are highlighted. © 1993 American Institute of Physics.
Databáze:	OpenAIRE
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