Methane activation by titanium monoxide molecules: a matrix isolation infrared spectroscopic and theoretical study.

摘要: Reactions of titanium monoxides with methane have been investigated using matrix isolation infrared spectroscopy and theoretical calculations. Titanium derivatives several simple oxyhydrocarbons prepared identified. The monoxide molecules by laser evaporation bulk TiO2 target reacted to form the TiO(CH4) complex in solid argon, which was predicted C3v symmetry oxygen atom coordinated one hydrogen molecule. rearranged CH3Ti(O)H titano−acetaldehyde molecule upon visible (λ > 500 nm) irradiation. sustained further photochemical rearrangement CH2Ti(H)OH titano−vinyl alcohol molecule, characterized be a carbene involving agostic bonding. second (CH3)2Ti(H)OH titano−isopropyl spontaneously on annealing. also can produced via UV phot...