Investigating the Chemical Dynamics of the Reaction of Ground-State Carbon Atoms with Acetylene and Its Isotopomers

We investigated the multichannel reaction of ground-state carbon atoms with acetylene, C2H2 (X1Sigmag+), to form the linear and cyclic C3H isomers (atomic hydrogen elimination pathway) as well as tricarbon plus molecular hydrogen. The experiments were conducted under single-collision conditions at three different collision energies between 8.0 kJ mol-1 and 31.0 kJ mol-1. Our studies were complemented by crossed molecular beam experiments of carbon with three isotopomers C2D2(X1Sigmag+), C2HD (X1Sigma+), and 13C2H2 (X1Sigmag+) to clarify a potential intersystem crossing (ISC), the effect of the symmetry of the reaction intermediates on the center-of-mass angular distributions, the collision energy-dependent branching ratios of the atomic versus molecular hydrogen elimination pathways, and deuterium-enrichment processes. The results are discussed in light of recent electronic structure and dynamics calculations.