Matrix isolation study of the thermal and photochemical reaction of ozone with Trimethyl Indium

The matrix isolation technique has been combined with infrared spectroscopy and theoretical calculations to explore the reaction of (CH3)(3)In with O-3 over a range of time scales. Upon twin jet deposition (short reaction time), formation of the novel H3COIn(CH3)(2) species along with a low yield of CH2O was observed. Subsequent UV irradiation greatly increased the yield of H3COIn(CH3)(2) while the intensities of the CH2O bands were not affected. An extensive set of bands were seen for H3COIn(CH3)(2) after irradiation and O-18 spectroscopic data was obtained as well. The identification of this species was supported by theoretical calculations at the B3LYP/lanl2dz and B3LYP/dgdzvp levels of theory. Merged jet deposition (longer reaction times) led to high yield of H2CO, CH3OH and C2H6, identifications that were confirmed by O-18 substitution. Mechanistic inferences for the initial steps of this reaction are discussed. (C) 2011 Elsevier B. V. All rights reserved.