Assigning the complicated dispersed fluorescence spectrum of phcccn

Thorpe, James H.

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https://hdl.handle.net/2142/107672 Copy

Description

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.

Issue Date

2020-06-22

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/107672

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Copyright 2020 is held by the Author(s)

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