標題: Dissociation of energy-selected CH3CN+ in a region 15.1-16.5 eV: Vibrationally enhanced dissociation and mechanisms
作者: Huang, Chuan-Keng
Lin, I.-Feng
Chiang, Su-Yu
應用化學系
Department of Applied Chemistry
公開日期: 25-May-2007
摘要: 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+ + H-2 and CH2+ + HCN. The kinetic energies released in channel C2HN+ + H-2 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+ + H-2. 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. (c) 2007 Elsevier B.V. All rights reserved.
URI: http://dx.doi.org/10.1016/j.cplett.2007.04.010
http://hdl.handle.net/11536/10785
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2007.04.010
期刊: CHEMICAL PHYSICS LETTERS
Volume: 440
Issue: 1-3
起始頁: 51
結束頁: 55
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