Probing Reactivity of Gold Atoms with Acetylene and Ethylene with VUV Photoionization Mass Spectrometry and Ab Initio Studies.

摘要: Reaction of gold atoms with acetylene and ethylene in a laser ablation source produces number gold-containing species. Their photoionization efficiency (PIE) curves are measured using tunable vacuum ultraviolet (VUV) radiation at the Advanced Light Source. structures assigned by comparing experimental ionization energies PIE to those potential isomers calculated CAM-B3LYP/aug-cc-pVTZ level. For smaller molecules, contribution excited electronic states cation is also included cross sections ePolyScat. adducts Au(C2H2) Au(C2H2)2, as well HAu(C4H2). leads Au(C2H4), Au(C2H4)2, an adduct dimer, Au2(C2H4), hydrides AuH, HAu(C2H4), HAu(C4H4). [Au,C4,H7] observed, it likely corresponds alkyl, H2C═C(H)-Au(C2H4). Reactions leading production odd-hydrogen species endothermic due translationally or electronically atoms. These measurements provide first directly energy for hydride, IE(AuH) = 10.25 ± 0.05 eV. Combining this value dissociation AuH+ gives D0(AuH) 3.15 0.12 Several other measured: IE(Au2(C2H4)) 8.42 eV, IE(HAu(C2H4)) 9.35 IE(HAu(C4H2)) 8.8 0.1 IE(HAu(C4H4))