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- W2022992241 abstract "Threshold photoelectron–photoion coincidence spectra of CH3CN were measured in a region 15.1–16.5 eV. We observed a small vibrational enhancement on dissociation of CH3CN+ and obtained kinetic energy releases for channels C2HN+ + H2 and CH2++HCN. The kinetic energies released in channel C2HN+ + H2 are substantial; a linearly extrapolated dissociation threshold of 14.68 ± 0.01 eV agrees with a Gaussian-3 B3LYP prediction 14.70 eV for formation of HCCN+ + H2. In contrast, the small releases for channel CH2++HCN agree with a statistical calculation. We describe a plausible dissociation mechanism with the Gaussian-3 B3LYP method to rationalize experimental results." @default.
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- W2022992241 date "2007-05-01" @default.
- W2022992241 modified "2023-09-27" @default.
- W2022992241 title "Dissociation of energy-selected CH3CN+ in a region 15.1–16.5eV: Vibrationally enhanced dissociation and mechanisms" @default.
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- W2022992241 doi "https://doi.org/10.1016/j.cplett.2007.04.010" @default.
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