Dataset

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

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.

Chemical Info

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source
Version
Author Musso, Janis, Schowner, Roman, Falivene, Laura, Cavallo, Luigi, Buchmeiser, Michael
Maintainer DaRUS
Language English
MetadataCreated 2023-05-08T19:13:41.611725
MetadataModified 2023-05-08T19:13:41.611731
MetadataPublished
Field Value
Measurement Technique
Measurement Variables