jp4034134_si_001.pdf (137.08 kB)
Reactions of Vanadium Dioxide Molecules with Acetylene: Infrared Spectra of VO2(η2‑C2H2)x (x = 1, 2) and OV(OH)CCH in Solid Neon
journal contribution
posted on 2013-07-03, 00:00 authored by Xiaojie Zhou, Mohua Chen, Mingfei ZhouReactions
of vanadium dioxide molecules with acetylene have been
studied by matrix isolation infrared spectroscopy. Reaction intermediates
and products are identified on the basis of isotopic substitutions
as well as density functional frequency calculations. Ground state
vanadium dioxide molecule reacts with acetylene in forming the side-on-bonded
VO2(η2-C2H2) and
VO2(η2-C2H2)2 complexes spontaneously on annealing in solid neon. The VO2(η2-C2H2) complex is
characterized to have a 2B2 ground state with C2v symmetry, whereas the VO2(η2-C2H2)2 complex has a 2A ground state with C2 symmetry. The VO2(η2-C2H2) and VO2(η2-C2H2)2 complexes are photosensitive. The
VO2(η2-C2H2) complex
rearranges to the OV(OH)CCH molecule upon UV–vis light excitation.