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Description
Title: | Vibrational motion in thiophosgene and related studies |
Author(s): | Sundaradevan, Praveen |
Advisor(s): | Gruebele, Martin |
Department / Program: | Chemistry |
Discipline: | Chemistry |
Degree Granting Institution: | University of Illinois at Urbana-Champaign |
Degree: | M.S. |
Genre: | Thesis |
Subject(s): | intramolecular vibrational relaxation
thiophosgene poincare transformation |
Abstract: | Over 300 second excitated state to ground state vibrational transitions have been located, measured and assigned by dispersed fluorescence spectroscopy. The energies of these transitions were also fit with a spectroscopic effective Hamiltonian. These spectra show high activity in the v_1 and v_4 modes which is expected due to their known high Frank-Condon activity. However, predicted activity in other modes, particularly v_2 and v_6was not observed, quite likely due to the poor resolution of the higher energy spectrum. This made low-lying lines difficult to assign, thus hindering assignments of progressions in the higher region of this spectra. A higher resolution spectrum is required. A torsional potential energy surface was also constructed for the 2-fluoroethanol molecule, in an attempt to make theoretical predictions and corroborate known experimental work on the molecule. This surface includes zero-point energy (ZPE) corrections, to see if it would lower the torsional barrier significantly. It did not. A computer program used to predict potential couplings in a tier model of IVR is also presented. |
Issue Date: | 2010-06-22 |
URI: | http://hdl.handle.net/2142/16500 |
Rights Information: | This work is licensed under the Creative Commons Attribution-Share Alike 3.0 United States License. To view a copy of this license, visit http://creativecommons.org/licenses/by-sa/3.0/us/ or send a letter to Creative Commons, 171 Second Street, Suite 300, San Francisco, California, 94105, USA. |
Date Available in IDEALS: | 2010-06-22 2012-05-15 |
Date Deposited: | 2010-05 |
This item appears in the following Collection(s)
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Graduate Dissertations and Theses at Illinois
Graduate Theses and Dissertations at Illinois -
Dissertations and Theses - Chemistry