{"dcterms:modified":"2023-12-08","dcterms:creator":"DaRUS","@type":"ore:ResourceMap","@id":"https://nfldevdataverse2.rus.uni-stuttgart.de/api/datasets/export?exporter=OAI_ORE&persistentId=https://doi.org/10.18419/darus-1715","ore:describes":{"grantNumber":[{"citation:grantNumberAgency":"Deutsche Forschungsgemeinschaft DFG","citation:grantNumberValue":"BU2174/22‐1"},{"citation:grantNumberAgency":"Deutsche Forschungsgemeinschaft DFG","citation:grantNumberValue":"358283783‐CRC 1333"}],"processInstru":{"processInstruName":"Bruker Avance III 400","processInstruDescr":"NMR Spectrometer","process:processInstruSoftware":"TopSpin","process:processInstruLocation":"University of Stuttgart"},"processSoftware":{"processSoftwareName":"MestReNova","processSoftwareURL":"https://mestrelab.com/download/mnova/"},"citation:project":{"citation:projectName":"Project B2","citation:projectLevel":"1"},"citation:keyword":[{"citation:keywordValue":"Alpha-H-abstraction"},{"citation:keywordValue":"tungsten-alkylidene"}],"citation:dsDescription":{"citation:dsDescriptionValue":"The first reversible N‐heterocyclic carbene (NHC) induced α‐H abstraction in tungsten(VI) imido‐dialkyl dialkoxide complexes is reported. Treatment of W(NAr)(CH2Ph)2(OtBu)2 (Ar=2,6‐dichlorophenyl, 2,6‐dimethylphenyl, 2,6‐diisopropylphenyl) with different NHCs leads to the formation of complexes of the type W(NAr)(CHPh)(NHC)(CH2Ph)(OtBu) in excellent isolated yields of up to 96 %. The highly unusual release of the tert‐butoxide ligand as tBuOH in the course of the reaction was observed. The formed alkylidene complexes and tBuOH are in an equilibrium with the NHC and the dialkyl complexes. Reaction kinetics were monitored by 1H NMR spectroscopy. A correlation between the steric and electronic properties of the NHC and the reaction rates was observed. Kinetics of a deuterium‐labeled complex in comparison to its non‐deuterated counterpart revealed the presence of a strong primary kinetic isotope effect (KIE) of 4.2, indicating that α‐H abstraction is the rate‐determining step (RDS) of the reaction. All primary data files and processed data of the original journal article can be found here. Procedures, recation conditions and used analytical equipment is discussed in detail in the supporting information of the paper. NMR Spectra as well as kinetics data are named according to the numbering in the publication.\r\n1H-NMR and 13C-NMR spectra were recorded using a Bruker Avance III 400 (400MHzfor 1H, 101MHz for 13C) spectrometer."},"author":[{"citation:authorName":"Musso, Janis","citation:authorAffiliation":"Universität Stuttgart","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0002-8714-4511"},{"citation:authorName":"Benedikter, Mathis","citation:authorAffiliation":"Universität Stuttgart","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0001-5711-6846"},{"citation:authorName":"Wang, Dongren","citation:authorAffiliation":"Universität Stuttgart","authorIdentifierScheme":"GND","authorIdentifier":"124116817"},{"citation:authorName":"Frey, Wolfgang","citation:authorAffiliation":"Universität Stuttgart","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0002-6522-4190"},{"citation:authorName":"Altmann, Hagen J.","citation:authorAffiliation":"Universität Stuttgart","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0001-6832-6857"},{"citation:authorName":"Buchmeiser, Michael","citation:authorAffiliation":"Universität Stuttgart","authorIdentifierScheme":"ORCID","authorIdentifier":"0000-0001-6472-5156"}],"publication":{"publicationCitation":"J. V. Musso, M. J. Benedikter, D. Wang, W. Frey, H. J. Altmann, M. R. Buchmeiser, Reversible N‐Heterocyclic Carbene‐Induced α‐H Abstraction in Tungsten(VI) Imido Dialkyl Dialkoxide Complexes Chem. Eur. J. 2020, 26, 8709.","publicationIDType":"doi","publicationIDNumber":"10.1002/chem.202000840","publicationURL":"https://doi.org/10.1002/chem.202000840"},"citation:datasetContact":{"citation:datasetContactName":"Buchmeiser, Michael","citation:datasetContactAffiliation":"Universität Stuttgart"},"dateOfDeposit":"2021-03-12","title":"Data of: Reversible N‐Heterocyclic Carbene‐Induced α‐H Abstraction in Tungsten(VI) Imido Dialkyl Dialkoxide Complexes","subject":"Chemistry","citation:depositor":"Musso, Janis","@id":"https://doi.org/10.18419/darus-1715","@type":["ore:Aggregation","schema:Dataset"],"schema:version":"1.0","schema:name":"Data of: Reversible N‐Heterocyclic Carbene‐Induced α‐H Abstraction in Tungsten(VI) Imido Dialkyl Dialkoxide Complexes","schema:dateModified":"Thu Apr 08 19:15:55 CEST 2021","schema:datePublished":"2021-04-08","schema:license":"http://creativecommons.org/licenses/by/4.0","dvcore:fileTermsOfAccess":{"dvcore:fileRequestAccess":false},"schema:includedInDataCatalog":"DaRUS","schema:isPartOf":{"schema:name":"SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF","@id":"https://nfldevdataverse2.rus.uni-stuttgart.de/dataverse/sfb1333-Buchmeiser","schema:description":"In this dataverse you can find all research data related to publications of the Buchmeiser group generated within the CRC 1333.\r\n\r\n","schema:isPartOf":{"schema:name":"SFB 1333 \"Molecular heterogeneous catalysis in confined geometries\"","@id":"https://nfldevdataverse2.rus.uni-stuttgart.de/dataverse/sfb1333","schema:description":"All primary data files of published research from CRC 1333, e.g. from journal articles.","schema:isPartOf":{"schema:name":"DaRUS","@id":"https://nfldevdataverse2.rus.uni-stuttgart.de/dataverse/darus","schema:description":"This is the data Repository of the University of Stuttgart."}}},"ore:aggregates":[{"schema:name":"Kinetics Measurements.zip","dvcore:restricted":false,"schema:version":1,"dvcore:datasetVersionId":1316,"@id":"doi:10.18419/darus-1715/2","schema:sameAs":"https://nfldevdataverse2.rus.uni-stuttgart.de/api/access/datafile/:persistentId?persistentId=doi:10.18419/darus-1715/2","@type":"ore:AggregatedResource","schema:fileFormat":"application/zip","dvcore:filesize":343517704,"dvcore:storageIdentifier":"s3://fokus-dv-prod-1:1788842277b-55f0e42f97f1","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"143adaf34cf9c66453135e5022f10e40"}},{"schema:name":"NMR Spectra.zip","dvcore:restricted":false,"schema:version":1,"dvcore:datasetVersionId":1316,"@id":"doi:10.18419/darus-1715/1","schema:sameAs":"https://nfldevdataverse2.rus.uni-stuttgart.de/api/access/datafile/:persistentId?persistentId=doi:10.18419/darus-1715/1","@type":"ore:AggregatedResource","schema:fileFormat":"application/zip","dvcore:filesize":21041479,"dvcore:storageIdentifier":"s3://fokus-dv-prod-1:178884219f3-3baad13df23c","dvcore:rootDataFileId":-1,"dvcore:checksum":{"@type":"MD5","@value":"cba0b86105daed46ace61866929b11ca"}}],"schema:hasPart":["doi:10.18419/darus-1715/2","doi:10.18419/darus-1715/1"]},"@context":{"author":"http://purl.org/dc/terms/creator","authorIdentifier":"http://purl.org/spar/datacite/AgentIdentifier","authorIdentifierScheme":"http://purl.org/spar/datacite/AgentIdentifierScheme","citation":"https://dataverse.org/schema/citation/","dateOfDeposit":"http://purl.org/dc/terms/dateSubmitted","dcterms":"http://purl.org/dc/terms/","dvcore":"https://dataverse.org/schema/core#","grantNumber":"https://schema.org/sponsor","ore":"http://www.openarchives.org/ore/terms/","process":"https://nfldevdataverse2.rus.uni-stuttgart.de/schema/process#","processInstru":"https://schema.org/instrument","processInstruDescr":"https://schema.org/description","processInstruName":"https://schema.org/name","processSoftware":"https://schema.org/SoftwareApplication","processSoftwareName":"https://schema.org/name","processSoftwareURL":"https://schema.org/downloadUrl","publication":"http://purl.org/dc/terms/isReferencedBy","publicationCitation":"http://purl.org/dc/terms/bibliographicCitation","publicationIDNumber":"http://purl.org/spar/datacite/ResourceIdentifier","publicationIDType":"http://purl.org/spar/datacite/ResourceIdentifierScheme","publicationURL":"https://schema.org/distribution","schema":"http://schema.org/","subject":"http://purl.org/dc/terms/subject","title":"http://purl.org/dc/terms/title"}}