Polycyclic aromatic hydrocarbons (PAHs) are regarded as key intermediates in the molecular growth process that forms soot from incomplete fossil fuel combustion. Although heavily researched, the reaction mechanisms for PAH formation have only been investigated through bulk experiments; therefore, current models remain conjectural. We report the first observation of a directed synthesis of a PAH...

Crossed-beam experiments on the reactions of cyano CN(X2Σ+) and ethinyl C2H(X 2Σ+) radicals with the unsaturated hydrocarbons acetylene, ethylene, methylacetylene allene and benzene have been carried out under single-collision conditions to investigate synthetic routes to form nitriles, polyynes and substituted allenes in hydrocarbon-rich atmospheres of planets and their moons. All reactions we...

Crossed molecular beam experiments of cyano radicals, CN(X(2)Sigma(+)), reacting with unsaturated hydrocarbons have been performed to investigate synthetic routes to nitriles formation in hydrocarbon-rich atmospheres of planets and their moons. We have verified that all cyano radical reactions with acetylene, ethylene, methylacetylene, allene, benzene, and dimethylacetylene proceed without entr...

INTRODUCTION In earlier studies"2 of the photosensitization of furan vapour by mercury(3P1) atoms, it has been reported that the principal photochemical process is a clecarbonylation which has a quantum yield of 04 at a pressure of furan of a few mm Hg. The C3 fragment which was simultaneously produced was found to consist of a mixture of cyclopropene and methylacetylene. At high conversions, s...

Article history: Received 7 November 2009 In final form 9 December 2009 Available online 22 December 2009 0009-2614/$ see front matter 2009 Elsevier B.V. A doi:10.1016/j.cplett.2009.12.027 * Corresponding author. E-mail address: [email protected] (R.I. Kaiser). We have investigated the ionization potentials of resonantly stabilized C4H3 radicals utilizing laser ablation of graphite in combinatio...

A detailed mechanism for alkyne alkoxycarbonylation mediated by a palladium catalyst has been characterised at the B3PW91-D3/PCM level of density functional theory (including bulk solvation and dispersion corrections). This transformation, investigated via the methoxycarbonylation of propyne, involves a uniquely dual role for the P,N hemilabile ligand acting co-catalytically as both an in situ ...

Dissociation of the allyl radical, CH(2)CHCH(2), and its deuterated isotopolog, CH(2)CDCH(2), have been investigated using trajectory calculations on an ab initio ground-state potential energy surface calculated for 97,418 geometries at the coupled cluster single and double and perturbative treatment of triple excitations, with the augmented correlation consistent triple-ζ basis set level (CCSD...