Reactions of Vanadium Dioxide Molecules with Acetylene: Infrared Spectra of VO22‑C2H2)x (x = 1, 2) and OV(OH)CCH in Solid Neon

2013-07-03T00:00:00Z (GMT) by Xiaojie Zhou Mohua Chen Mingfei Zhou
Reactions 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 VO22-C2H2) and VO22-C2H2)2 complexes spontaneously on annealing in solid neon. The VO22-C2H2) complex is characterized to have a 2B2 ground state with C2v symmetry, whereas the VO22-C2H2)2 complex has a 2A ground state with C2 symmetry. The VO22-C2H2) and VO22-C2H2)2 complexes are photosensitive. The VO22-C2H2) complex rearranges to the OV­(OH)­CCH molecule upon UV–vis light excitation.