Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes"

DOI

All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. Novel cationic tungsten oxo alkylidene NHC complexes have been synthesized and characterized. Their catalytic activity in the homo and cross metathesis of unfunctionalized olefins was extensively studied to find a correlation beween the experimentally determined turnover frequency after 1 minute and the NMR (nuclear magnetic resonance) 13C alkylidene shift. The data was supported by density functional theory (DFT) calculations. The study can help to understand the correlation of structural peculiarities and catalytic activity of cationic group 6 alkylidene complexes. The data is structured according to figures and schemes in the research article and contains the following data types: excel and fid of the characterization data of the complexes as well as the catalytic testing. The data was obtained by NMR and Gas chromatography–mass spectrometry (GC-MS) measurements. Further experimental for reproduction of experiments can be found in the supporting information.

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Identifier
DOI https://doi.org/10.18419/darus-2313
Related Identifier IsCitedBy https://doi.org/10.1002/cctc.202101510
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-2313
Provenance
Creator Musso, Janis ORCID logo; Schowner, Roman ORCID logo; Falivene, Laura ORCID logo; Cavallo, Luigi (ORCID: 0000-0002-1398-338X); Buchmeiser, Michael ORCID logo
Publisher DaRUS
Contributor Buchmeiser, Michael
Publication Year 2021
Funding Reference DFG 358283783 - SFB 1333 ; DFG BU2174/22-1
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Buchmeiser, Michael (University of Stuttgart)
Representation
Resource Type experimental data (NMR and GC-MS measurements); Dataset
Format application/zip; application/vnd.openxmlformats-officedocument.spreadsheetml.sheet
Size 60196097; 22915; 27398; 28612; 18125; 40310; 23275; 28601
Version 1.0
Discipline Chemistry; Natural Sciences