Mass-Spectrometric Study on Ion-Molecule Reactions of CH_5~+, C_2H_5~+, and C_3H_5~+ with Monosubstituted Benzenes Carrying a Carbonyl Group

Masaharu Tsuji; Yukio Nishimura

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Mass-Spectrometric Study on Ion-Molecule Reactions of CH_5~+, C_2H_5~+, and C_3H_5~+ with Monosubstituted Benzenes Carrying a Carbonyl Group

机译：CH_5〜+，C_2H_5〜+和C_3H_5〜+与带有羰基的单取代苯的离子分子反应的质谱研究

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The gas-phase ion-molecule reactions of CH_5~+, C_2H_5~+, and C_3H_5~+ with five monosubstituted benzenes carrying a carbonyl group (PhCOX: X = H, CH_3, C_2H_5, Ph, COPh) have been studied using an ion-trap type of GC/MS at a low CH_4 pressure. The major product channels are proton transfer to the O-atom in a substituent, with or without further decomposition due to the elimination of CO, PhH, or (PhH + CO). Small amounts of initial adduct ions and their decomposition products are found in some reactions with C_3H_5~+. The reaction mechanism is discussed, based on product ion distributions and semi-empirical calculations of the energies of intermediates and products.

机译：使用离子研究了CH_5〜+，C_2H_5〜+和C_3H_5〜+与五个带有羰基的单取代苯（PhCOX：X = H，CH_3，C_2H_5，Ph，COPh）的气相离子分子反应CH_4压力低的GC / MS捕集阱类型。主要的产物通道是质子转移到取代基中的O原子上，由于消除了CO，PhH或（PhH + CO）而有或没有进一步分解。在某些与C_3H_5〜+的反应中发现少量的初始加合物离子及其分解产物。基于产物离子分布以及中间体和产物能量的半经验计算，讨论了反应机理。

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《Bulletin of the Chemical Society of Japan》 |1998年第1期|共11页
作者
Masaharu Tsuji; Yukio Nishimura;
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正文语种 eng
中图分类化学;化学工业;
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Mass-Spectrometric Study on Ion-Molecule Reactions of CH_5~+, C_2H_5~+, and C_3H_5~+ with Monosubstituted Benzenes Carrying a Carbonyl Group

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