{"id":{"repo_id":"ohiolink","oai_identifier":"oai:etd.ohiolink.edu:case1363168243"},"canonical_url":"https://search.dev.ndltd.org/etd/ohiolink/oai:etd.ohiolink.edu:case1363168243","repository":{"repo_id":"ohiolink","name":"OhioLINK","base_url":"https://etd.ohiolink.edu/acprod/odb_etd/ws/oai/oai"},"display":{"title":"ULTRAFAST DYNAMICS IN NITRO- AND (ORGANOPHOSPHINE)GOLD(I)-POLYCYCLIC AROMATIC HYDROCARBONS","abstract":"The light-induced relaxation pathways of various polycyclic aromatic hydrocarbon (PAH) derivatives were studied using broadband transient absorption with femtosecond (10<sup>-15</sup> s) time resolution, steady-state Xe-lamp irradiation, UV/Vis spectroscopy and HPLC methods. Ground- and excited-state calculations were performed to help interpret the experimental results. Two types of PAH derivatives were chosen for this research: those substituted with nitro groups and those with gold(I) phosphine groups. In both families of PAH investigated the triplet state is populated in high yield following excitation by UV light. The population of the triplet states occurs ultrafast, with lifetimes in the hundreds of femtoseconds in most cases. Kinetic mechanisms explaining the excited-state dynamics and photochemistry of these molecules are proposed. The experimental findings are reinforced with ground- and excited-state calculations at the density functional level of theory.","abstract_html":"The light-induced relaxation pathways of various polycyclic aromatic hydrocarbon (PAH) derivatives were studied using broadband transient absorption with femtosecond (10&lt;sup&gt;-15&lt;/sup&gt; s) time resolution, steady-state Xe-lamp irradiation, UV/Vis spectroscopy and HPLC methods. Ground- and excited-state calculations were performed to help interpret the experimental results. Two types of PAH derivatives were chosen for this research: those substituted with nitro groups and those with gold(I) phosphine groups. In both families of PAH investigated the triplet state is populated in high yield following excitation by UV light. The population of the triplet states occurs ultrafast, with lifetimes in the hundreds of femtoseconds in most cases. Kinetic mechanisms explaining the excited-state dynamics and photochemistry of these molecules are proposed. The experimental findings are reinforced with ground- and excited-state calculations at the density functional level of theory.","abstract_has_math":false,"creators":["Vogt, Robert Aaron"],"institution":"Case Western Reserve University School of Graduate Studies","degree_name":"Doctor of Philosophy","degree_level":"doctoral","degree_discipline":"Chemistry","degree_department":null,"school":null,"contributors":["Crespo-Hernández, Carlos","Scherson, Daniel"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2013,"date_issued":"2013-08-19","date_published":"2013-08-19","updated_at":"2026-07-24T03:36:39Z","subjects":["Chemistry","Physical Chemistry"],"languages":["English"],"rights":["unrestricted","This thesis or dissertation is protected by copyright: all rights reserved. It may not be copied or redistributed beyond the terms of applicable copyright laws."],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://rave.ohiolink.edu/etdc/view?acc_num=case1363168243","outbound_label":"Repository record","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Crespo-Hernández, Carlos","Scherson, Daniel"]},{"key":"dc:creator","label":"Author","values":["Vogt, Robert Aaron"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2013-08-19"]},{"key":"dc:publisher","label":"Institution","values":["Case Western Reserve University School of Graduate Studies / OhioLINK"]},{"key":"dc:type","label":"Dc Type","values":["Electronic Thesis or Dissertation"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemistry"]},{"key":"thesis:degree_level","label":"Degree Level","values":["doctoral"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Doctor of Philosophy"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["Case Western Reserve University School of Graduate Studies"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Chemistry","Physical Chemistry"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["English"]},{"key":"dc:rights","label":"Dc Rights","values":["unrestricted","This thesis or dissertation is protected by copyright: all rights reserved. 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In both families of PAH investigated the triplet state is populated in high yield following excitation by UV light. The population of the triplet states occurs ultrafast, with lifetimes in the hundreds of femtoseconds in most cases. Kinetic mechanisms explaining the excited-state dynamics and photochemistry of these molecules are proposed. The experimental findings are reinforced with ground- and excited-state calculations at the density functional level of theory."]},{"key":"dc:format","label":"Dc Format","values":["application/pdf","p.184","8.77 MB"]},{"key":"dc:title","label":"Title","values":["ULTRAFAST DYNAMICS IN NITRO- AND (ORGANOPHOSPHINE)GOLD(I)-POLYCYCLIC AROMATIC HYDROCARBONS"]}]}],"canonical_facts":{"dc:contributor":["Crespo-Hernández, Carlos","Scherson, Daniel"],"dc:creator":["Vogt, Robert Aaron"],"dc:date":["2013-08-19"],"dc:description":["The light-induced relaxation pathways of various polycyclic aromatic hydrocarbon (PAH) derivatives were studied using broadband transient absorption with femtosecond (10<sup>-15</sup> s) time resolution, steady-state Xe-lamp irradiation, UV/Vis spectroscopy and HPLC methods. Ground- and excited-state calculations were performed to help interpret the experimental results. Two types of PAH derivatives were chosen for this research: those substituted with nitro groups and those with gold(I) phosphine groups. In both families of PAH investigated the triplet state is populated in high yield following excitation by UV light. The population of the triplet states occurs ultrafast, with lifetimes in the hundreds of femtoseconds in most cases. Kinetic mechanisms explaining the excited-state dynamics and photochemistry of these molecules are proposed. The experimental findings are reinforced with ground- and excited-state calculations at the density functional level of theory."],"dc:format":["application/pdf","p.184","8.77 MB"],"dc:identifier":["http://rave.ohiolink.edu/etdc/view?acc_num=case1363168243"],"dc:language":["English"],"dc:publisher":["Case Western Reserve University School of Graduate Studies / OhioLINK"],"dc:rights":["unrestricted","This thesis or dissertation is protected by copyright: all rights reserved. It may not be copied or redistributed beyond the terms of applicable copyright laws."],"dc:subject":["Chemistry","Physical Chemistry"],"dc:title":["ULTRAFAST DYNAMICS IN NITRO- AND (ORGANOPHOSPHINE)GOLD(I)-POLYCYCLIC AROMATIC HYDROCARBONS"],"dc:type":["Electronic Thesis or Dissertation"],"thesis:degree_discipline":["Chemistry"],"thesis:degree_level":["doctoral"],"thesis:degree_name":["Doctor of Philosophy"],"thesis:institution_name":["Case Western Reserve University School of Graduate Studies"]},"updated_at":"2026-07-24T03:36:39Z"}