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application/vnd.openxmlformats-officedocument.presentationml.presentation ![]() | Presentation | Microsoft PowerPoint 2007 |
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Description
Title: | Dispersed-fluorescence spectroscopy of jet-cooled calcium ethoxide radical (CaOC2H5) |
Author(s): | Paul, Anam C. |
Contributor(s): | Liu, Jinjun; Reza, Md Asmaul |
Subject(s): | Comparing theory and experiment |
Abstract: | Metal-containing free radicals are important intermediates in metal-surface reactions and in the interaction between metals and organic molecules. In the present work, dispersed fluorescence (DF) spectra of the calcium ethoxide radical (CaOC$_2$H$_5$) have been obtained by pumping the ${\tilde A^2}{\rm{A}}' \leftarrow {\tilde X^2}{\rm{A}}'$ and the ${\tilde B^2}{\rm{A}}'' \leftarrow {\tilde X^2}{\rm{A}}'$ origin bands in its laser-induced fluorescence (LIF) spectrum. CaOC$_2$H$_5$ radicals were produced by 1064 nm laser ablation of calcium grains in the presence of ethanol under jet-cooled conditions. Dominant transitions in the vibrationally resolved DF spectra are well reproduced using Franck-Condon factors predicted by complete active space self-consistent (CASSCF) calculations. Differences in transition intensities between the ${\tilde A^2}{\rm{A}}' \rightarrow {\tilde X^2}{\rm{A}}'$ and the ${\tilde B^2}{\rm{A}}'' \rightarrow {\tilde X^2}{\rm{A}}'$ DF spectra are attributed to the pseudo-Jahn-Teller interaction between the $\tilde A ^2 \rm{A}'$ and the $\tilde B ^2 \rm{A}''$ states. Collision-induced population transfer between these two excited electronic states results in additional peaks in the DF spectra. |
Issue Date: | 2016-06-23 |
Publisher: | International Symposium on Molecular Spectroscopy |
Genre: | Conference Paper / Presentation |
Type: | Text |
Language: | En |
URI: | http://hdl.handle.net/2142/91166 |
Rights Information: | Copyright 2016 by the authors |
Date Available in IDEALS: | 2017-01-26 |