Dissociation Dynamics of n-Propylbenzene Molecular Ion

Wan Goo Hwang; Jeong Hee Moon; Joong Chul Choe; Myung Soo Kim

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Dissociation Dynamics of n-Propylbenzene Molecular Ion

机译：正丙基苯分子离子的解离动力学

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production of C_7H_(7~+) from n-propylbenzene molecular ion has been studied using mass-analyzed ion kinetic energy spectrometry. The kinetic energy release distributions in photodissociation and metastable ion decomposition have been determined. The photodissociation rates have been determined also on a nanosecond time scale. All the experimental data could be explained well with the microcanonical transition-state theories when the reaction was assumed to produce only the benzylium ion. Molecular orbital calculations have been carried out to understand the reason for the dominance of the benzylium channel in this system over the tropylium channel, which is important in the dissociation of smaller alkylbenzene ions.

机译：利用质量分析离子动能谱研究了由正丙基苯分子离子生产C_7H_（7〜+）。确定了光解离和亚稳离子分解中的动能释放分布。光解离速率也已在纳秒级上确定。当假定反应仅产生苄基离子时，所有的实验数据都可以用微规范的过渡态理论很好地解释。已经进行了分子轨道计算，以了解该系统中苄鎓通道占主导地位的原因，是对位鎓通道占优势，这对于较小的烷基苯离子的离解很重要。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |1998年第38期|共7页
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Wan Goo Hwang; Jeong Hee Moon; Joong Chul Choe; Myung Soo Kim;
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中图分类物理化学（理论化学）、化学物理学;
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机译：正丙基苯分子离子的解离动力学
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Dissociation Dynamics of n-Propylbenzene Molecular Ion

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