Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 110, Issue 6, Pages 2157-2164Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp057195n
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The reactions of Mo2Oy- suboxide clusters with both methane and ethane have been studied with a combination of mass spectrometry, anion photoelectron spectroscopy, and density functional theory calculations. Reactions were carried out under gentle and violent conditions. For methane, a number of products appeared under the gentler source conditions that were more logically attributed to dissociation of Mo2Oy- clusters upon reacting with methane to form MoCH2-, Mo(O)CH2-, and HMo(O-2)CH3-. With ethane, products observed under the same gentle conditions were Mo(O)C2H2-, Mo(O)C2H4-, Mo(O-2)CH4-, and Mo(O-2)(CH2H5)(2)(-). As expected, more products were observed when the reactions were carried out under violent conditions. The photoelectron spectra obtained for these species were compared to calculated adiabatic and vertical electron affinities and vibrational frequencies, leading to definitive structural assignments for several of the products.
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