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Title:Assigning The Complicated Dispersed Fluorescence Spectrum Of Phcccn
Author(s):Thorpe, James H.
Contributor(s):Stanton, John F.; Zwier, Timothy S.; Jawad, Khadija M.
Subject(s):Theory and Computation
Abstract:The dispersed fluorescence spectrum from the $S_1$ origin of PhCCCN is reported. This molecule, which consists of a cyanoacetylene chain fused to an aromatic phenyl ring, is a potential candidate for astronomical detection. The high resolution spectrum was obtained under jet-cooled, gas-phase conditions with a rotational temperature of roughly 2 K, and appears to encode rich information about the vibronic coupling in this species. The experimentally observed peaks are assigned to emissions from the $S_1$ ($\tilde{A}\text{ }^1B_2$) origin to $a_1$ vibrational levels of the ground state, which are dipole allowed and governed by FC factors, and to $b_2$ vibrational levels of the ground state, made possible by vibronic interactions between $S_1$ and $S_2$ ($\tilde{B}\text{ }^1A_1$) states. The $S_0$ vibrational structure features a combined Fermi and Darling-Denison resonance near $950$ \wn, which is accurately reproduced by diagonalization of an effective Hamiltonian containing the three $a_1$ states involved. A KDC Hamiltonian is employed to treat the vibronic $b_2$ features.
Issue Date:2021-06-23
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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