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Part 1: Document Description
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Citation |
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Title: |
Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes" |
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Identification Number: |
doi:10.18419/darus-2313 |
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Distributor: |
DaRUS |
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Date of Distribution: |
2021-12-22 |
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Version: |
1 |
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Bibliographic Citation: |
Musso, Janis; Schowner, Roman; Falivene, Laura; Cavallo, Luigi; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2313, DaRUS, V1 |
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Citation |
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Title: |
Replication data of Buchmeiser group for: "Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes" |
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Identification Number: |
doi:10.18419/darus-2313 |
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Authoring Entity: |
Musso, Janis (University of Stuttgart) |
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Schowner, Roman (University of Stuttgart) |
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Falivene, Laura (University of Salerno) |
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Cavallo, Luigi (King Abdullah University of Science and Technology) |
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Buchmeiser, Michael (University of Stuttgart) |
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Software used in Production: |
MestReNova |
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Grant Number: |
358283783 - SFB 1333 |
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Grant Number: |
BU2174/22-1 |
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Distributor: |
DaRUS |
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Access Authority: |
Buchmeiser, Michael |
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Depositor: |
Musso, Janis |
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Date of Deposit: |
2021 |
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Holdings Information: |
https://doi.org/10.18419/darus-2313 |
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Study Scope |
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Keywords: |
Chemistry, Tungsten, Alkylidene Group, N-Heterocyclic Carbene |
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Topic Classification: |
Inorganic Chemistry, Metathesis |
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Abstract: |
<p>All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. <p> <p>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.<p> <p>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.<p> <p>Further experimental for reproduction of experiments can be found in the supporting information.<p> |
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Kind of Data: |
experimental data (NMR and GC-MS measurements) |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
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. |
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Identification Number: |
10.1002/cctc.202101510 |
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Bibliographic Citation: |
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. |
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Label: |
Paper, Figure 5.xlsx |
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Notes: |
application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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SI, Figure S56.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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SI, Figure S57.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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SI, Figure S58.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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SI, Figure S59.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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SI, Figure S60.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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SI, Figure S61.xlsx |
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Notes: |
application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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NMR Spectra.zip |
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Notes: |
application/zip |