Generation of the C₂H₃O⁺ ion in reactions of O(³P) with 2‐butyne

Abstract

ABSTRACT:We investigated the feasibility of formation of the C 2 H 3 O ϩ chemiion during collisions of O( 3 P) with the CH 3 C (ã 4 A 2 ), CH 2 CH (ã 4 AЉ), CH 3 C (X 2 AЉ), and CH 2 CH (X 2 AЈ) radicals, which are possible intermediates in the oxidation of 2-butyne. We determined the C-O bond dissociation energies and the ionization energies of the neutral C 2 H 3 O species as well as the C-O bond dissociation energies of C 2 H 3 O ϩ . We conclude that the CH 3 C (ã 4 A 2 ) radical is the most probable precursor of the chemiion, in agreement with experimental evidence.