首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Experimental observation and quantum chemical characterization of the S_1 ← S_0 transition of protonated naphthalene-argon clusters
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Experimental observation and quantum chemical characterization of the S_1 ← S_0 transition of protonated naphthalene-argon clusters

机译:质子化萘-氩团簇S_1←S_0跃迁的实验观察和量子化学表征

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摘要

We report on the photodissociation spectrum of protonated naphthalene ~+-argon complexes (NpH~+-Ar) recorded by excitation into the first excited singlet electronic state. Unlike previous electronic spectra of the free molecule (NpH~+), both the α and the β isomer could be observed for the Ar adducts. Detailed information on the S_0 and S_1 state of both isomers is provided by quantum chemical calculations. An assignment of observed vibrational bands is proposed based on Franck-Condon simulations.
机译:我们报告了通过激发进入第一个激发单重态电子态记录的质子化的萘〜+-氩复合物(NpH〜+ -Ar)的光解离光谱。与以前的自由分子电子光谱(NpH〜+)不同,可以观察到Ar加合物的α和β异构体。两种异构体的S_0和S_1状态的详细信息由量子化学计算提供。基于Franck-Condon模拟,提出了对观察到的振动带的分配。

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