{"id":{"repo_id":"aachen","oai_identifier":"oai:publications.rwth-aachen.de:56410"},"canonical_url":"https://search.dev.ndltd.org/etd/aachen/oai:publications.rwth-aachen.de:56410","repository":{"repo_id":"aachen","name":"RWTH Aachen University","base_url":"https://publications.rwth-aachen.de/oai2d"},"display":{"title":"Rotationsspektroskopische und quantenchemische Studien zur Methyltorsion in halogenierten Dimethylethenen","abstract":"Halogenodimethylethenes (1-halogeno-2-methylpropene, E-2-halogeno-2-butene, and Z-2-halogeno-2-butene) have two internally rotating methyl groups. Using MB-FTMW-spectroscopy the splittings of the rotational transition caused by internal rotation and nuclei quadrupole coupling were resolved. By analyzing the observed spectra it was possible to determine the hindering barriers of the individual methyl groups, the rotational constants, the centrifugal distortion constants, and the complete quadrupole coupling tensor of 1-chloro-2-methylpropene, E-2-chloro-2-butene, Z-2-chloro-2-butene, 1-bromo-2-methylpropene, E-2-bromo-2-butene, and Z-2-bromo-2-butene. The experimental barrier heights were found to be in reasonable agreement with corresponding ab initio results. By comparing the data of halogenodimethylethenes and halogenopropenes it was possible to develop an incremental method for predicting internal rotation potential barriers.","abstract_html":"Halogenodimethylethenes (1-halogeno-2-methylpropene, E-2-halogeno-2-butene, and Z-2-halogeno-2-butene) have two internally rotating methyl groups. Using MB-FTMW-spectroscopy the splittings of the rotational transition caused by internal rotation and nuclei quadrupole coupling were resolved. By analyzing the observed spectra it was possible to determine the hindering barriers of the individual methyl groups, the rotational constants, the centrifugal distortion constants, and the complete quadrupole coupling tensor of 1-chloro-2-methylpropene, E-2-chloro-2-butene, Z-2-chloro-2-butene, 1-bromo-2-methylpropene, E-2-bromo-2-butene, and Z-2-bromo-2-butene. The experimental barrier heights were found to be in reasonable agreement with corresponding ab initio results. By comparing the data of halogenodimethylethenes and halogenopropenes it was possible to develop an incremental method for predicting internal rotation potential barriers.","abstract_has_math":false,"creators":["Bruhn, Timm"],"institution":"Publikationsserver der RWTH Aachen University","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":["Stahl, Wolfgang"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2000,"date_issued":"2000","date_published":"2000","updated_at":"2026-07-30T19:41:53Z","subjects":["info:eu-repo/classification/ddc/540","Chemie","Butene","Halogenorganische Verbindungen","Rotationsspektrum","Methylgruppe","Ab-initio-Rechnung"],"languages":["ger"],"rights":["info:eu-repo/semantics/openAccess"],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["https://publications.rwth-aachen.de/search?p=id:%22RWTH-CONV-118517%22"],"render_values":[{"text":"https://publications.rwth-aachen.de/search?p=id:%22RWTH-CONV-118517%22","href":"https://publications.rwth-aachen.de/search?p=id:%22RWTH-CONV-118517%22","code":true}]}]},"links":{"outbound_url":"https://publications.rwth-aachen.de/record/56410","outbound_label":"Repository record","outbound_source":"dc:identifier"},"source_record":{"url":"https://publications.rwth-aachen.de/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Apublications.rwth-aachen.de%3A56410","prefix":"oai_dc"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Stahl, Wolfgang"]},{"key":"dc:creator","label":"Author","values":["Bruhn, Timm"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:coverage","label":"Dc Coverage","values":["DE"]},{"key":"dc:date","label":"Dc Date","values":["2000"]},{"key":"dc:publisher","label":"Institution","values":["Publikationsserver der RWTH Aachen University"]},{"key":"dc:relation","label":"Dc Relation","values":["info:eu-repo/semantics/altIdentifier/urn/urn:nbn:de:hbz:82-opus-932"]},{"key":"dc:type","label":"Dc Type","values":["info:eu-repo/semantics/doctoralThesis","info:eu-repo/semantics/publishedVersion"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["info:eu-repo/classification/ddc/540","Chemie","Butene","Halogenorganische Verbindungen","Rotationsspektrum","Methylgruppe","Ab-initio-Rechnung"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["ger"]},{"key":"dc:rights","label":"Dc Rights","values":["info:eu-repo/semantics/openAccess"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["https://publications.rwth-aachen.de/record/56410","https://publications.rwth-aachen.de/search?p=id:%22RWTH-CONV-118517%22"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Halogenodimethylethenes (1-halogeno-2-methylpropene, E-2-halogeno-2-butene, and Z-2-halogeno-2-butene) have two internally rotating methyl groups. Using MB-FTMW-spectroscopy the splittings of the rotational transition caused by internal rotation and nuclei quadrupole coupling were resolved. By analyzing the observed spectra it was possible to determine the hindering barriers of the individual methyl groups, the rotational constants, the centrifugal distortion constants, and the complete quadrupole coupling tensor of 1-chloro-2-methylpropene, E-2-chloro-2-butene, Z-2-chloro-2-butene, 1-bromo-2-methylpropene, E-2-bromo-2-butene, and Z-2-bromo-2-butene. The experimental barrier heights were found to be in reasonable agreement with corresponding ab initio results. By comparing the data of halogenodimethylethenes and halogenopropenes it was possible to develop an incremental method for predicting internal rotation potential barriers."]},{"key":"dc:source","label":"Dc Source","values":["Aachen : Publikationsserver der RWTH Aachen University X, 313 S. : graph. Darst. (2000). = Aachen, Techn. Hochsch., Diss., 2000"]},{"key":"dc:title","label":"Title","values":["Rotationsspektroskopische und quantenchemische Studien zur Methyltorsion in halogenierten Dimethylethenen"]}]}],"canonical_facts":{"dc:contributor":["Stahl, Wolfgang"],"dc:coverage":["DE"],"dc:creator":["Bruhn, Timm"],"dc:date":["2000"],"dc:description":["Halogenodimethylethenes (1-halogeno-2-methylpropene, E-2-halogeno-2-butene, and Z-2-halogeno-2-butene) have two internally rotating methyl groups. Using MB-FTMW-spectroscopy the splittings of the rotational transition caused by internal rotation and nuclei quadrupole coupling were resolved. By analyzing the observed spectra it was possible to determine the hindering barriers of the individual methyl groups, the rotational constants, the centrifugal distortion constants, and the complete quadrupole coupling tensor of 1-chloro-2-methylpropene, E-2-chloro-2-butene, Z-2-chloro-2-butene, 1-bromo-2-methylpropene, E-2-bromo-2-butene, and Z-2-bromo-2-butene. The experimental barrier heights were found to be in reasonable agreement with corresponding ab initio results. By comparing the data of halogenodimethylethenes and halogenopropenes it was possible to develop an incremental method for predicting internal rotation potential barriers."],"dc:identifier":["https://publications.rwth-aachen.de/record/56410","https://publications.rwth-aachen.de/search?p=id:%22RWTH-CONV-118517%22"],"dc:language":["ger"],"dc:publisher":["Publikationsserver der RWTH Aachen University"],"dc:relation":["info:eu-repo/semantics/altIdentifier/urn/urn:nbn:de:hbz:82-opus-932"],"dc:rights":["info:eu-repo/semantics/openAccess"],"dc:source":["Aachen : Publikationsserver der RWTH Aachen University X, 313 S. : graph. Darst. (2000). = Aachen, Techn. Hochsch., Diss., 2000"],"dc:subject":["info:eu-repo/classification/ddc/540","Chemie","Butene","Halogenorganische Verbindungen","Rotationsspektrum","Methylgruppe","Ab-initio-Rechnung"],"dc:title":["Rotationsspektroskopische und quantenchemische Studien zur Methyltorsion in halogenierten Dimethylethenen"],"dc:type":["info:eu-repo/semantics/doctoralThesis","info:eu-repo/semantics/publishedVersion"]},"updated_at":"2026-07-30T19:41:53Z"}