A crossed molecular beam study on the reaction of boron atoms, B( 2P j), with benzene, C 6H 6(X 1A 1g), and D6-benzene C 6D 6(X 1A 1g)

Abstract

The reactions of ground-state boron atoms, B( 2P j), with benzene, C 6H 6(X 1A 1g), and deuterated benzene C 6D 6(X 1A 1g), were studied in crossed molecular beam experiments. The reactions were indirect and involved an addition of atomic boron to one carbon atom of benzene following isomerization of the intermediate to the phenylboryl radical, C 6H 5BH/C 6D 5BD. The latter decomposed via tight exit transition states by cleavage of the ortho-carbon–hydrogen/deuterium bonds and concomitant ring closures to the aromatic C 6H 5B/C 6D 5B isomers, i.e. benzoborirene ( p1), plus atomic hydrogen/deuterium. We also detected the 11BC 6D 6 adduct. The derived reaction mechanism is also discussed in light of the isoelectronic C 7 H 5 + surface.