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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


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