Experimental Observation and Quantum Chemical Characterization of the S1 鈫?S0 Transition of Protonated Naphthalene鈥揂rgon Clusters

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• 作者：Alexander Patzer ; Markus Sch眉tz ; Christophe Jouvet ; Otto Dopfer
• 刊名：Journal of Physical Chemistry A
• 出版年：2013
• 出版时间：October 3, 2013
• 年：2013
• 卷：117
• 期：39
• 页码：9785-9793
• 全文大小：384K
• 年卷期：v.117,no.39(October 3, 2013)
• ISSN：1520-5215

文摘

We report on the photodissociation spectrum of protonated naphthalene⁺鈥揳rgon complexes (NpH⁺鈥揂r) recorded by excitation into the first excited singlet electronic state. Unlike previous electronic spectra of the free molecule (NpH⁺), both the 伪 and the 尾 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鈥揅ondon simulations.