Dataset for Switching Between Hydrogenation and Olefin Transposition Catalysis via Silencing NH Cooperativity in Mn(I) pincer complexes

DOI:10.4121/19704391.v1
The DOI displayed above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
DOI: 10.4121/19704391
Datacite citation style:
Yang, Wenjun; Ivan Yu. Chernyshov; Weber, Manuela; Evgeny A. Pidko; Georgy Filonenko (2022): Dataset for Switching Between Hydrogenation and Olefin Transposition Catalysis via Silencing NH Cooperativity in Mn(I) pincer complexes. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/19704391.v1
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite

Dataset

  This dataset contains:

- raw NMR data for new compounds used in the publication

- comutational data for calculations presented in the published work

- raw analytical data for catalysis run characterization

- crysallographic data for new complexes

History

  • 2022-08-23 first online, published, posted

Publisher

4TU.ResearchData

Format

NMR data is in ziped FID Varian format. DFT data is tabulated text and XYZ files all archived in respective folders. Analytical data, IR and kinetic data are tabulated in Excel format. Crystallographic data is given in CIF format.

Funding

  • Death and Life of Catalysts: a Theory-Guided Unified Approach for Non-Critical Metal Catalyst Development (grant code 725686) [more info...] European Research Council

Organizations

TU Delft, Faculty of Applied Sciences, Department of Chemical Engineering
Freie Universität Berlin, Instiut für Chemie und Biochemie, Anorganische Chemie
ITMO University, ChemBio cluster, TheoMAT Group

DATA

Files (1)

  • 25,179,231 bytesMD5:851f2421647e782b1f661646758d4523dataset.zip