title: Matrix isolation spectroscopic and theoretical study of carbon dioxide activation by titanium oxide molecules.
abstract: The reactions of titanium monoxide and dioxide molecules with carbon dioxide were investigated by matrix isolation infrared spectroscopy. It was found that the titanium monoxide molecule is able to activate carbon dioxide to form the titanium dioxide-carbon monoxide complex upon visible light excitation via a weakly bound TiO(η(1)-OCO) intermediate in solid neon. In contrast, the titanium dioxide molecule reacted with carbon dioxide to form the titanium monoxide-carbonate complex spontaneously on annealing. Theoretical calculations predicted that both activation processes are thermodynamically exothermic and kinetically facile.
authors.affiliation: Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, China.
authors.forename: Jia
authors.initials: J
authors.lastname: Zhuang
authors.forename: Zhen Hua
authors.initials: ZH
authors.lastname: Li
authors.forename: Kangnian
authors.initials: K
authors.lastname: Fan
authors.forename: Mingfei
authors.initials: M
authors.lastname: Zhou