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Title:Vibronic Coupling Of B̃2a′ Electronic State With The X̃2a′, Ã2 A" Twofold Of Isopropoxy Radical.
Author(s):Melnik, Dmitry G.
Contributor(s):Liu, Jinjun; Miller, Terry A.; Chhantyal-Pun, Rabi; Roudjane, Mourad
Subject(s):Atmospheric science
Abstract:We performed rotational analyses of previously reported\footnote{R. Chhantyal-Pun and T. A. Miller, \textbf{TD03}, \textit{68$^{th}$ Molecular Spectroscopy Symposium}, Columbus, 2013} vibronic bands belonging to $\tilde{B}^2A' \leftarrow \tilde{X}^2A'$ and $\tilde{B}^2A' \leftarrow \tilde{A}^2A''$ electronic transitions of isopropoxy radical. It is noted that certain vibronic bands belonging to both $\tilde{B}^2A' \leftarrow \tilde{X}^2A'$ and $\tilde{B}^2A' \leftarrow \tilde{A}^2A''$ electronic transitions exhibit unusual rotational contours inconsistent with the electronic symmetry designation of the connecting levels, and the orientation of the electronic transition dipole moment with respect to the principal axis system of the molecule is inconsistent with expectations from the molecule's electronic structure. A coupled, three-electronic-state, vibronic Hamiltonian has been used to account for vibronic interactions between the $\tilde{B}$ electronic state and the $\tilde{X}/ \tilde{A}$ states, whereas an effective rotational Hamiltonian developed earlier\footnote{J. Liu, D. Melnik and T. A. Miller, \textit{J. Chem. Phys.}, \textbf{139}, 094308, (2013)} has been used to describe the rovibronic eigenstates within the $\tilde{X}^2A'$ and $\tilde{A}^2 A''$ twofold. We show that inclusion of the vibronic coupling of the ground twofold to the upper electronic $\tilde{B}$ state is necessary to account for the observed rotational structure anomalies and present molecular parameters resulting from the rotational analysis of the vibronic spectra.
Issue Date:2014-06-17
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Melnik, D.G.; Liu, J.; Miller, T.A.; Chhantyal-Pun, R.; Roudjane, M. VIBRONIC COUPLING OF B̃2A′ ELECTRONIC STATE WITH THE X̃2A′, Ã2 A" TWOFOLD OF ISOPROPOXY RADICAL.. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.TI04
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/51084
DOI:10.15278/isms.2014.TI04
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Date Available in IDEALS:2014-09-17
2015-04-14


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