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University of Illinois Urbana-Champaign
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Laser-induced fluorescence and dispersed-fluorescence spectroscopy of jet-cooled calcium monoalkoxide radicals
Paul, Anam C.
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https://hdl.handle.net/2142/100661
Description
Title
Laser-induced fluorescence and dispersed-fluorescence spectroscopy of jet-cooled calcium monoalkoxide radicals
Author(s)
Paul, Anam C.
Contributor(s)
Liu, Jinjun
Shuvra, Pranoy Deb
Reza, Md Asmaul
Issue Date
2018-06-20
Keyword(s)
Metal containing
Date of Ingest
2018-08-17T16:09:27Z
2018-12-12T22:35:53Z
Abstract
Laser-induced fluorescence (LIF) and dispersed-fluorescence spectroscopy (DF) spectroscopic investigations of A˜ ← X˜ transitions of a series of calcium monoalkoxides, including CaOCH3, CaOCH2CH3, and CaOCH(CH3)2, have been carried out. The free radicals were produced by laser ablation of a calcium rod in the presence of alkohols under jet-cooled conditions. Dominant transitions in the vibrationally resolved LIF and DF spectra obtained by pumping the orgin bands are reproduced using Franck-Condon (FC) factors calculated by complete active space self-consistent field (CASSCF) as well as coupled cluster (CC) methods. DF spectra obtained by pumping other vibronic bands in the LIF spectra provide valuable information about the FC matrices and aid the assignment of vibronic transitions. The (pseudo-)Jahn-Teller effects introduce transitions that are not predicted using the harmonic oscillator approximation.
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