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Title:The X2bo And X2bs (x = Hydrogen Or Halogen) Free Radicals
Author(s):Clouthier, Dennis
Contributor(s):Sheridan, Phillip; Jin, Bing; Grimminger, Robert
Subject(s):Radicals
Abstract:The electronic spectra of the X$_{2}$BO and X$_{2}$BS free radicals have been studied by a combination of experimental and theoretical techniques. Experimentally, we have succeeded in preparing some of these species in a pulsed discharge jet and detecting them by laser-induced fluorescence and emission spectroscopy through the $\tilde{B} ^2{A}_{1}-\tilde{X}^2{B}_{2}$ transition. The radicals exhibit emission transitions down to the ground state and the low-lying $\tilde{A} ^2{B}_{1}$ electronic state. We have also used high level \textit{ab initio} theory [CCSD(T)/aug-cc-pV5Z] to calculate the properties of the ground and excited states and simulate the observed spectra. Experiment and theory agree that the radicals are planar, \textit{C}$_{2\textit{v}}$ symmetry species in all the three combining states, with only small changes in geometry on electronic excitation.
Issue Date:2014-06-16
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Clouthier, D.; Sheridan, P.; Jin, B.; Grimminger, R. THE X2BO and X2BS (X = HYDROGEN OR HALOGEN) FREE RADICALS. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.MI06
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/51095
DOI:10.15278/isms.2014.MI06
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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