{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/16500"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/16500","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Vibrational motion in thiophosgene and related studies","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.","abstract_html":"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.","abstract_has_math":false,"creators":["Sundaradevan, Praveen"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"M.S.","degree_level":"Thesis","degree_discipline":"Chemistry","degree_department":null,"school":null,"contributors":["Gruebele, Martin"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2010,"date_issued":"2010-06-22T19:46:43Z","date_published":"2010-06-22T19:46:43Z","updated_at":"2026-07-22T22:25:09Z","subjects":["intramolecular vibrational relaxation","thiophosgene","poincare","transformation"],"languages":["en"],"rights":["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."],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/2142/16500","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Gruebele, Martin"]},{"key":"dc:creator","label":"Author","values":["Sundaradevan, Praveen"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2010-06-22T19:46:43Z","2012-05-15T10:00:29Z","2010-05"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemistry"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["M.S."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["intramolecular vibrational relaxation","thiophosgene","poincare","transformation"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["This work is licensed under the Creative Commons Attribution-Share Alike 3.0 United States License. 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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. 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