{"id":{"repo_id":"vt","oai_identifier":"oai:vtechworks.lib.vt.edu:10919/36999"},"canonical_url":"https://search.dev.ndltd.org/etd/vt/oai:vtechworks.lib.vt.edu:10919/36999","repository":{"repo_id":"vt","name":"Virginia Tech","base_url":"https://vtechworks.lib.vt.edu/oai/request"},"display":{"title":"Liquid Phase Carbon-Thirteen Dynamic Nuclear Polarization Study of Monosubstituted Aromatic Compounds","abstract":"In this work, liquid phase Carbon-thirteen DNP experimental data were collected in a flow transfer system for different mono-substituted aromatic compounds, such as, anisole, nitrobenzene and halobenzenes. These substitute groups covered a wide range of electronic effects from strong electron donating groups to strong electron withdrawing groups. Hammett linear free energy relationship was used to quantitatively study the electronic effect of substituent on the carbon-thirteen DNP enhancement. It was found that the carbon-thirteen DNP enhancements at meta and para positions exhibits a reasonable correlation. A better correlation of carbon-thirteen DNP enhancements with the Hammett inductive factor was observed. A large scalar dominated enhancement at ipso (C-1) position was observed for iodobenzene. This suggests that facile transfer of spin polarization to the C-1 carbon via the highly polarizable iodine atom is possible and the dominate electron transfer mechanism for this system. A model of polarization transfer via spin diffusion of abundant proton spins was examined. The results indicate that it is not important.","abstract_html":"In this work, liquid phase Carbon-thirteen DNP experimental data were collected in a flow transfer system for different mono-substituted aromatic compounds, such as, anisole, nitrobenzene and halobenzenes. These substitute groups covered a wide range of electronic effects from strong electron donating groups to strong electron withdrawing groups. Hammett linear free energy relationship was used to quantitatively study the electronic effect of substituent on the carbon-thirteen DNP enhancement. It was found that the carbon-thirteen DNP enhancements at meta and para positions exhibits a reasonable correlation. A better correlation of carbon-thirteen DNP enhancements with the Hammett inductive factor was observed. A large scalar dominated enhancement at ipso (C-1) position was observed for iodobenzene. This suggests that facile transfer of spin polarization to the C-1 carbon via the highly polarizable iodine atom is possible and the dominate electron transfer mechanism for this system. A model of polarization transfer via spin diffusion of abundant proton spins was examined. The results indicate that it is not important.","abstract_has_math":false,"creators":["Song, Li"],"institution":"Virginia Tech","degree_name":"Master of Science","degree_level":"masters","degree_discipline":"Chemistry","degree_department":"Chemistry","school":null,"contributors":[],"advisors":[],"committee_chairs":["Dorn, Harry C."],"committee_members":["Anderson, Mark R.","Wolfe, James F."],"year":1997,"date_issued":"1997-09-18","date_published":"1997-09-18","updated_at":"2026-07-22T22:19:53Z","subjects":["Carbon","Dynamic","Nuclear","Polarization"],"languages":[],"rights":["In Copyright"],"rights_urls":["http://rightsstatements.org/vocab/InC/1.0/"],"identifier_entries":[{"key":"dc:identifier.other","label":"Dc Identifier Other","values":["etd-82597-221112"],"render_values":[{"text":"etd-82597-221112","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/10919/36999","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.committeechair","label":"Committee Chair","values":["Dorn, Harry C."]},{"key":"dc:contributor.committeemember","label":"Committee Member","values":["Anderson, Mark R.","Wolfe, James F."]},{"key":"dc:contributor.department","label":"Department","values":["Chemistry"]},{"key":"dc:creator","label":"Author","values":["Song, Li"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2014-03-14T20:52:27Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2014-03-14T20:52:27Z","1997-10-01"]},{"key":"dc:date.issued","label":"Date","values":["1997-09-18"]},{"key":"dc:publisher","label":"Institution","values":["Virginia Tech"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemistry"]},{"key":"thesis:degree_level","label":"Degree Level","values":["masters"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["Virginia Polytechnic Institute and State University"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Carbon","Dynamic","Nuclear","Polarization"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:rights","label":"Dc Rights","values":["In Copyright"]},{"key":"dc:rights.uri","label":"Rights URI","values":["http://rightsstatements.org/vocab/InC/1.0/"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.other","label":"Dc Identifier Other","values":["etd-82597-221112"]},{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/10919/36999"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["In this work, liquid phase Carbon-thirteen DNP experimental data were collected in a flow transfer system for different mono-substituted aromatic compounds, such as, anisole, nitrobenzene and halobenzenes. These substitute groups covered a wide range of electronic effects from strong electron donating groups to strong electron withdrawing groups. Hammett linear free energy relationship was used to quantitatively study the electronic effect of substituent on the carbon-thirteen DNP enhancement. It was found that the carbon-thirteen DNP enhancements at meta and para positions exhibits a reasonable correlation. A better correlation of carbon-thirteen DNP enhancements with the Hammett inductive factor was observed. A large scalar dominated enhancement at ipso (C-1) position was observed for iodobenzene. This suggests that facile transfer of spin polarization to the C-1 carbon via the highly polarizable iodine atom is possible and the dominate electron transfer mechanism for this system. A model of polarization transfer via spin diffusion of abundant proton spins was examined. The results indicate that it is not important."]},{"key":"dc:description.degree","label":"Dc Description Degree","values":["Master of Science"]},{"key":"dc:title","label":"Title","values":["Liquid Phase Carbon-Thirteen Dynamic Nuclear Polarization Study of Monosubstituted Aromatic Compounds"]}]}],"canonical_facts":{"dc:contributor.committeechair":["Dorn, Harry C."],"dc:contributor.committeemember":["Anderson, Mark R.","Wolfe, James F."],"dc:contributor.department":["Chemistry"],"dc:creator":["Song, Li"],"dc:date.accessioned":["2014-03-14T20:52:27Z"],"dc:date.available":["2014-03-14T20:52:27Z","1997-10-01"],"dc:date.issued":["1997-09-18"],"dc:description.abstract":["In this work, liquid phase Carbon-thirteen DNP experimental data were collected in a flow transfer system for different mono-substituted aromatic compounds, such as, anisole, nitrobenzene and halobenzenes. These substitute groups covered a wide range of electronic effects from strong electron donating groups to strong electron withdrawing groups. Hammett linear free energy relationship was used to quantitatively study the electronic effect of substituent on the carbon-thirteen DNP enhancement. It was found that the carbon-thirteen DNP enhancements at meta and para positions exhibits a reasonable correlation. A better correlation of carbon-thirteen DNP enhancements with the Hammett inductive factor was observed. A large scalar dominated enhancement at ipso (C-1) position was observed for iodobenzene. This suggests that facile transfer of spin polarization to the C-1 carbon via the highly polarizable iodine atom is possible and the dominate electron transfer mechanism for this system. A model of polarization transfer via spin diffusion of abundant proton spins was examined. The results indicate that it is not important."],"dc:description.degree":["Master of Science"],"dc:identifier.other":["etd-82597-221112"],"dc:identifier.uri":["http://hdl.handle.net/10919/36999"],"dc:publisher":["Virginia Tech"],"dc:rights":["In Copyright"],"dc:rights.uri":["http://rightsstatements.org/vocab/InC/1.0/"],"dc:subject":["Carbon","Dynamic","Nuclear","Polarization"],"dc:title":["Liquid Phase Carbon-Thirteen Dynamic Nuclear Polarization Study of Monosubstituted Aromatic Compounds"],"dc:type":["Thesis"],"thesis:degree_discipline":["Chemistry"],"thesis:degree_level":["masters"],"thesis:degree_name":["Master of Science"],"thesis:institution_name":["Virginia Polytechnic Institute and State University"]},"updated_at":"2026-07-22T22:19:53Z"}