{"id":{"repo_id":"buffalo","oai_identifier":"oai:ubir.buffalo.edu:10477/80628"},"canonical_url":"https://search.dev.ndltd.org/etd/buffalo/oai:ubir.buffalo.edu:10477/80628","repository":{"repo_id":"buffalo","name":"Buffalo","base_url":"https://ubir.buffalo.edu/oai/request"},"display":{"title":"An Investigation of Carbamate Pesticides at Environmental Interfaces via Sum Frequency Generation Vibrational Spectroscopy","abstract":"Ph.D.","abstract_html":"Ph.D.","abstract_has_math":false,"creators":["Bromley III, Leander"],"institution":"State University of New York at Buffalo","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":["Velarde, Luis","Chemistry"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2019,"date_issued":"2019-10-28T20:11:44Z","date_published":"2019-10-28T20:11:44Z","updated_at":"2026-07-27T19:05:23Z","subjects":["chemistry"],"languages":["eng"],"rights":["Users of works found in University at Buffalo Institutional Repository (UBIR) are responsible for identifying and contacting the copyright owner for permission to reuse. University at Buffalo Libraries do not manage rights for copyright-protected works and cannot assist with permissions.","Copyright retained by author."],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/10477/80628","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Velarde, Luis","Chemistry"]},{"key":"dc:creator","label":"Author","values":["Bromley III, Leander"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2019-10-28T20:11:44Z","2019","2019-08-09 12:36:19"]},{"key":"dc:publisher","label":"Institution","values":["State University of New York at Buffalo"]},{"key":"dc:type","label":"Dc Type","values":["Text","Dissertation"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["chemistry"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]},{"key":"dc:rights","label":"Dc Rights","values":["Users of works found in University at Buffalo Institutional Repository (UBIR) are responsible for identifying and contacting the copyright owner for permission to reuse. University at Buffalo Libraries do not manage rights for copyright-protected works and cannot assist with permissions.","Copyright retained by author."]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/10477/80628"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Ph.D.","Organonitrogen pesticides are currently amongst the most prevalently employed pesticide classes. However, little is known about how interactions with, and modifications catalyzed by, leaf and soil surfaces affect their environmental fate. An investigation of two such carbamate pesticides, carbaryl and propoxur, deposited on environmentally-relevant model interfaces is herein contained with the aims of elucidating their binding motifs, molecular orientation, and desorption lability. To this end, sum frequency generation vibrational spectroscopy has been employed in conjunction with ab-initio computations to develop a comprehensive understanding of the fundamental interactions and mechanisms responsible for these properties. First, carbaryl and propoxur, were studied via SFG vibrational spectroscopy at the air/solid interface after being deposited on a fused quartz substrate, which serves as a model system for soil silica. For sub-monolayer surface coverages, the two pesticide species were found to behave quite similarly, and the binding motifs and interfacial molecular orientation was elucidated. However, upon increasing the surface coverage to induce intermolecular interactions between pesticide molecules, the two pesticide species were found to behave very differently. In addition, an attempt was made to study carbaryl and propoxur at the air/solid interface after being deposited a paraffin wax substrate, a model system mimicking the cuticular wax layer of plant leaves, via SFG vibrational spectroscopy. However, the surprising discovery of a highly ordered surface domain of the paraffin wax substrate itself was instead observed. In addition to informing the scientific community of a previously unknown physical property of a material which is currently widely applied in many industries, a methodology for conducting further studies of adsorbates on a paraffin wax substrate via SFG vibrational spectroscopy was posited."]},{"key":"dc:format","label":"Dc Format","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["An Investigation of Carbamate Pesticides at Environmental Interfaces via Sum Frequency Generation Vibrational Spectroscopy"]}]}],"canonical_facts":{"dc:contributor":["Velarde, Luis","Chemistry"],"dc:creator":["Bromley III, Leander"],"dc:date":["2019-10-28T20:11:44Z","2019","2019-08-09 12:36:19"],"dc:description":["Ph.D.","Organonitrogen pesticides are currently amongst the most prevalently employed pesticide classes. However, little is known about how interactions with, and modifications catalyzed by, leaf and soil surfaces affect their environmental fate. An investigation of two such carbamate pesticides, carbaryl and propoxur, deposited on environmentally-relevant model interfaces is herein contained with the aims of elucidating their binding motifs, molecular orientation, and desorption lability. To this end, sum frequency generation vibrational spectroscopy has been employed in conjunction with ab-initio computations to develop a comprehensive understanding of the fundamental interactions and mechanisms responsible for these properties. First, carbaryl and propoxur, were studied via SFG vibrational spectroscopy at the air/solid interface after being deposited on a fused quartz substrate, which serves as a model system for soil silica. For sub-monolayer surface coverages, the two pesticide species were found to behave quite similarly, and the binding motifs and interfacial molecular orientation was elucidated. However, upon increasing the surface coverage to induce intermolecular interactions between pesticide molecules, the two pesticide species were found to behave very differently. In addition, an attempt was made to study carbaryl and propoxur at the air/solid interface after being deposited a paraffin wax substrate, a model system mimicking the cuticular wax layer of plant leaves, via SFG vibrational spectroscopy. However, the surprising discovery of a highly ordered surface domain of the paraffin wax substrate itself was instead observed. In addition to informing the scientific community of a previously unknown physical property of a material which is currently widely applied in many industries, a methodology for conducting further studies of adsorbates on a paraffin wax substrate via SFG vibrational spectroscopy was posited."],"dc:format":["application/pdf"],"dc:identifier":["http://hdl.handle.net/10477/80628"],"dc:language":["eng"],"dc:publisher":["State University of New York at Buffalo"],"dc:rights":["Users of works found in University at Buffalo Institutional Repository (UBIR) are responsible for identifying and contacting the copyright owner for permission to reuse. University at Buffalo Libraries do not manage rights for copyright-protected works and cannot assist with permissions.","Copyright retained by author."],"dc:subject":["chemistry"],"dc:title":["An Investigation of Carbamate Pesticides at Environmental Interfaces via Sum Frequency Generation Vibrational Spectroscopy"],"dc:type":["Text","Dissertation"]},"updated_at":"2026-07-27T19:05:23Z"}