Ultraviolet (UV) photodissociation dynamics of jet-cooled 1-propenyl radical (CHCHCH3) were investigated at the photolysis wavelengths from 224 to 248 nm using high-n Rydberg atom time-of-flight (HRTOF) technique. The 1-propenyl radicals were produced from 193 nm photolysis of 1-chloropropene and 1-bromopropene precursors. The photofragment yield (PFY) spectra of the H atom product have a broad...

Crossed molecular beams experiments on dicarbon molecules, C2(X1sigmag+/a3piu), with unsaturated hydrocarbons acetylene (C2H2(X1sigmag+), ethylene (C2H4(X1Ag)), methylacetylene (CH3CCH(X1A1)), and allene (H2CCCH2 (X1A1)) were carried out at 18 collision energies between 10.6 and 50.3 kJ mol(-1) utilizing a universal crossed beams machine to untangle the reaction dynamics forming hydrogen defici...

High-resolution carbon 1s photoelectron spectroscopy of propyne (HC triple bond CCH3) shows a spectrum in which the contributions from the three chemically inequivalent carbons are clearly resolved and marked by distinct vibrational structure. This structure is well accounted for by ab initio theory. For 3,3,3-trifluoropropyne (HC triple bond CCF3) and ethynylsulfur pentafluoride (HC triple bon...

The potential energy surface (PES) for the phenyl + propyne reaction, which might contribute to the growth of polycyclic aromatic hydrocarbons (PAHs) under a wide variety of reaction conditions, is described. The PES was characterized at the B3LYP-DFT/6-31G(d) and B3LYP-DFT/6-311+G(d,p) levels of theory. The energies of the entrance transition states, a direct hydrogen-transfer channel and two ...

This work investigates the unimolecular dissociation of the 2-buten-2-yl radical. This radical has three potentially competing reaction pathways: C-C fission to form CH3 + propyne, C-H fission to form H + 1,2-butadiene, and C-H fission to produce H + 2-butyne. The experiments were designed to probe the branching to the three unimolecular dissociation pathways of the radical and to test theoreti...

We have analysed the ISO-SWS spectrum of Jupiter in the 12–16 μm range, where several hydrocarbons exhibit rovibrational bands. Using temperature information from the methane and hydrogen emissions, we derive the mixing ratios (q) of acetylene and ethane at two independent pressure levels. For acetylene, we find q = (8.9 −0.6)× 10 −7 at 0.3 mbar and q = (1.1 −0.1)× 10 −7 at 4 mbar, giving a slo...

Parahydrogen induced polarization using heterogeneous catalysis can produce impurity-free hyperpolarized gases and liquids, but the comparatively low signal enhancements and limited scope of substrates that can be polarized pose significant challenges to this approach. This study explores the surface processes affecting the disposition of the bilinear spin order derived from parahydrogen in the...