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首页> 外文期刊>The Journal of Chemical Physics >Photodissociation dynamics of the 2-propyl radical, C3H7
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Photodissociation dynamics of the 2-propyl radical, C3H7

机译：2-丙基自由基C3H7的光解离动力学

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摘要

The photodissociation of 2-propyl leading to propene+H was investigated with nanosecond time resolution. A supersonic beam of isolated 2-propyl radicals was produced by pyrolysis of 2-bromopopane. The kinetic energy release of the H-atom photofragment was monitored as a function of excitation wavelength by photofragment Doppler spectroscopy via the Lyman-alpha transition. The loss of hydrogen atoms after excitation proceeds in alpha position to the radical center with a rate constant of 5.8x10(7) s(-1) at 254 nm. Approximately 20% of the excess energy is deposited as translation in the H-atom photofragment. In contrast 1-propyl does not lose H atoms to a significant extent. The experimental results are compared to simple Rice-Ramsperger-Kassel-Marcus calculations. The possible reaction pathways are examined in hybrid density functional theory calculations. (c) 2007 American Institute of Physics.
机译：以纳秒级的时间分辨率研究了2-丙基导致丙烯+ H的光解离。通过2-溴戊烷的热解产生分离的2-丙基自由基的超音波束。通过Lyman-α跃迁通过光碎裂多普勒光谱法监测作为激发波长的函数的H原子光碎裂的动能释放。激发后氢原子的损失以5.8x10（7）s（-1）的速率常数在254 nm处以α位置到达自由基中心。大约20％的多余能量以平移形式沉积在H原子光碎裂中。相反，1-丙基不会显着损失H原子。将实验结果与简单的Rice-Ramsperger-Kassel-Marcus计算进行比较。在混合密度泛函理论计算中检查了可能的反应途径。 （c）2007年美国物理研究所。

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