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首页> 外文期刊>The Journal of Chemical Physics >Femtosecond dynamics of the 2-methylallyl radical: A computational and experimental study
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Femtosecond dynamics of the 2-methylallyl radical: A computational and experimental study

机译：2-甲基术的飞秒动态：计算和实验研究

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摘要

We investigate the photodynamics of the 2-methylallyl radical by femtosecond time-resolved photoelectron imaging. The experiments are accompanied by field-induced surface hopping dynamics calculations and the simulation of time-resolved photoelectron intensities and anisotropies, giving insight into the photochemistry and nonradiative relaxation of the radical. 2-methylallyl is excited at 236 nm, 238 nm, and 240.6 nm into a 3p Rydberg state, and the subsequent dynamics is probed by multiphoton ionization using photons of 800 nm. The photoelectron image exhibits a prominent band with considerable anisotropy, which is compatible with the result of theory. The simulations show that the initially excited 3p state is rapidly depopulated to a 3s Rydberg state, from which photoelectrons of high anisotropy are produced. The 3s state then decays within several 100 fs to the D-1 (n pi) state, followed by the deactivation of the D1 to the electronic ground state on the ps time scale. Published by AIP Publishing.
机译：我们研究了由飞秒时间分辨光电子成像的2-甲基术的光动力学。实验伴随着现场诱导的表面跳跃动力学计算和模拟时间分辨的光电强度和各向同性，深入了解了激进的光化学和非接种性松弛。将2-甲基ally1在236nm，238nm和240.6nm处激发成3p rydberg状态，并且使用800nm的光子通过多选电离探测随后的动态。光电子图像具有突出的频带，具有相当大的各向异性，与理论的结果兼容。模拟表明，最初激发的3P状态快速分为3S rydberg状态，从该状态下产生高各向异性的光电子。然后，3S状态在几百fs内衰减到D-1（n pi）状态，然后在PS时间刻度上停用D1到电子地面状态。通过AIP发布发布。

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