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• W1970069206 abstract "Tandem mass spectrometry combined with ab initio calculations was used to explore the chemistry of the water-solvated methanol cation and its isomers, including the distonic methanol ion solvated by water, CH2OH2+/H2O (I), the methanol molecular ion associated with water, CH3OH+/H2O (II), and protonated methanol bound with a hydroxyl radical, CH3OH2+/HO (IV). Another ion, [H2O⋯HCH2OH+] (III), where the water molecule is attached to a methyl H of the methanol cation, proved inaccessible experimentally although it was predicted to be stable in a shallow potential well by theoretical calculations. The ions were generated by collision-induced loss of a radical or atom from appropriate proton bound molecular pairs. The heats of formation of ions (I) to (IV) were calculated to be 448, 482, 486 and 538 kJ/mol, respectively. Ions (I), (II) and (IV) can be identified by their metastable ion and collision-induced dissociation mass spectra. A partial potential energy surface linking the isomers is used to discuss the experimental data obtained with deuterium-labeled species." @default.
• W1970069206 created "2016-06-24" @default.
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• W1970069206 date "2003-01-01" @default.
• W1970069206 modified "2023-10-18" @default.
• W1970069206 title "The water-solvated methanol ion and its isomers: experiment and theory" @default.
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• W1970069206 doi "https://doi.org/10.1016/s1387-3806(02)00949-1" @default.
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