The X2bo And X2bs (x = Hydrogen Or Halogen) Free Radicals

Clouthier, Dennis

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https://hdl.handle.net/2142/51095 Copy

Description

Title

The X2bo And X2bs (x = Hydrogen Or Halogen) Free Radicals

Author(s)

Clouthier, Dennis

Contributor(s)

• Sheridan, Phillip
• Jin, Bing
• Grimminger, Robert

Issue Date

2014-06-16

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/51095

DOI

https://doi.org/10.15278/isms.2014.MI06

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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