%0 Generic %1 musso2021replication %A Musso, Janis %A Schowner, Roman %A Falivene, Laura %A Cavallo, Luigi %A Buchmeiser, Michael %D 2021 %K darus mult ubs_10003 ubs_10018 ubs_20003 ubs_20023 ubs_30036 ubs_30203 ubs_40064 unibibliografie %R 10.18419/darus-2313 %T Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes" %X 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.

@misc{musso2021replication, abstract = {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.}, added-at = {2022-03-08T18:43:13.000+0100}, affiliation = {Musso, Janis/University of Stuttgart, Schowner, Roman/University of Stuttgart, Falivene, Laura/University of Salerno, Cavallo, Luigi/King Abdullah University of Science and Technology, Buchmeiser, Michael/University of Stuttgart}, author = {Musso, Janis and Schowner, Roman and Falivene, Laura and Cavallo, Luigi and Buchmeiser, Michael}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2b2d8621d2ff1984046731252f7cf6181/unibiblio}, doi = {10.18419/darus-2313}, howpublished = {Dataset}, interhash = {369ae3328fa6684f67e18d66c990f957}, intrahash = {b2d8621d2ff1984046731252f7cf6181}, keywords = {darus mult ubs_10003 ubs_10018 ubs_20003 ubs_20023 ubs_30036 ubs_30203 ubs_40064 unibibliografie}, note = {Related to: Musso, J.V., Schowner, R., Falivene, L., Frey, W., Cavallo, L. and Buchmeiser, M.R. (2021), Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes. ChemCatChem. doi: 10.1002/cctc.202101510}, orcid-numbers = {Musso, Janis/0000-0002-8714-4511, Schowner, Roman/0000-0003-1728-2203, Falivene, Laura/0000-0003-1509-6191, Cavallo, Luigi/0000-0002-1398-338X, Buchmeiser, Michael/0000-0001-6472-5156}, timestamp = {2022-06-02T07:47:39.000+0200}, title = {Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes"}, year = 2021 }