Dispersed-fluorescence spectroscopy of jet-cooled calcium ethoxide radical (CaOC2H5)

Paul, Anam C.

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https://hdl.handle.net/2142/91166 Copy

Description

Title

Dispersed-fluorescence spectroscopy of jet-cooled calcium ethoxide radical (CaOC2H5)

Author(s)

Paul, Anam C.

Contributor(s)

• Liu, Jinjun
• Reza, Md Asmaul

Issue Date

2016-06-23

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

En

Permalink

http://hdl.handle.net/2142/91166

Copyright and License Information

Copyright 2016 by the authors

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