Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin, Germany.
J Phys Chem A. 2013 Oct 3;117(39):9785-93. doi: 10.1021/jp312581v. Epub 2013 Mar 8.
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 S0 and S1 state of both isomers is provided by quantum chemical calculations. An assignment of observed vibrational bands is proposed based on Franck-Condon simulations.
我们报道了通过激发到第一激发单重态电子态记录的质子化萘(+)-氩复合物(NpH(+)-Ar)的光解光谱。与游离分子(NpH(+))的先前电子光谱不同,对于氩加合物,可以观察到α和β异构体。通过量子化学计算提供了关于两种异构体的 S0 和 S1 态的详细信息。基于 Franck-Condon 模拟提出了观察到的振动带的分配。