SFB 1333 "Molecular heterogeneous catalysis in confined geometries"

All primary data files of published research from CRC 1333, e.g. from journal articles.

SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

SFB 1333 C1 - Dyballa group, ITC

SFB 1333 C5 - Groß/ Hansen group, ITT

SFB 1333 C4 - Kästner group, ITheoC

SFB 1333 A4 - Traa group, ITC

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21 to 30 of 185 Results

Replication Data for: Olefin Metathesis and Stereoselective Ring-Opening Metathesis Polymerization with Neutral and Cationic Molybdenum(VI) Imido and Tungsten(VI) Oxo Alkylidene Complexes Containing N-Chelating N-Heterocyclic Carbenes Nov 22, 2024 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Bhattacharya, Somnath; Ziegler, Felix, 2024, "Replication Data for: Olefin Metathesis and Stereoselective Ring-Opening Metathesis Polymerization with Neutral and Cationic Molybdenum(VI) Imido and Tungsten(VI) Oxo Alkylidene Complexes Containing N-Chelating N-Heterocyclic Carbenes", https://doi.org/10.18419/DARUS-4581, DaRUS, V1 All primary data files associated with this publication, experimental procedures, reaction conditions and used analytical equipment can be found in detail in the experimental section or in the supporting information of the paper. Synthesized liagands (L1, L2 and L3) and complexes (W1, W2, Mo1-Mo5) and polymers were characterized via nuclear magneti...
Publication data for: "Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation" - data from Estes group Nov 22, 2024 - SFB 1333 - Estes group, ITC Nguyen, Hoang-Huy; Li, Zheng; Enenkel, Toni; Bauer, Matthias; Dyballa, Michael; Estes, Deven P., 2024, "Publication data for: "Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation" - data from Estes group", https://doi.org/10.18419/DARUS-1654, DaRUS, V1 This file contains all the characterization and reactivity data for our publication given in the title. This includes all catalyst characterization data (NMR, IR, and XAS data) and reactivity data (NMR spectra and excel tables containing the results).
Replication Data for: Using Support Effects to Increase the Productivity of Immobilized Ruthenium Hydride Catalysts for the Hydrogenation of CO2 Nov 22, 2024 - Estes Group Estes, Deven P., 2024, "Replication Data for: Using Support Effects to Increase the Productivity of Immobilized Ruthenium Hydride Catalysts for the Hydrogenation of CO2", https://doi.org/10.18419/DARUS-4565, DaRUS, V1 Replication data for the paper: Using Support Effects to Increase the Productivity of Immobilized Ruthenium Hydride Catalysts for the Hydrogenation of CO2. Contains NMR and IR data for both the catalyst characterization (before and after catalysis) as well as the reaction NMR spectra and a table with the catalytic data summarized.
Data for Hydrogen Spillover through Hydride Transfer: The Reaction of ZnO and ZrO2 with Strong Hydride Donors Nov 22, 2024 - Estes Group Benz, Michael, 2024, "Data for Hydrogen Spillover through Hydride Transfer: The Reaction of ZnO and ZrO2 with Strong Hydride Donors", https://doi.org/10.18419/DARUS-4263, DaRUS, V1, UNF:6:/prwO0mYU07zXPJebhlu5A== [fileUNF] The data set contains TEM images, XAS data, EPR data, MAS NMR data and NMR data of zinc oxide and zirconium oxide samples before and after treatment with molecular metal hydrides.
Replication Data for: "Crystalline porous frameworks based on double extension of metal-organic and covalent organic linkages" Nov 20, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF Endo, Kenichi; Canossa, Stefano; Heck, Fabian; Proserpio, Davide M.; Istek, Muhammed Satukbugra; Stemmler, Friedrich; van Slageren, Joris; Hartmann, Sean; Hartschuh, Achim; Lotsch, Bettina V., 2024, "Replication Data for: "Crystalline porous frameworks based on double extension of metal-organic and covalent organic linkages"", https://doi.org/10.18419/DARUS-4566, DaRUS, V1, UNF:6:3yz8QuVP+bonrBlRSFRwJw== [fileUNF] All primary data files of the journal article mentioned can be found here. The data is structured by materials. The characterization data of each material are located in the subfolders "MOCOF-1", "MOCOF-1-R2", "MOCOF-2", "MOCOF-3", "COF-366-Co", "[Co(tapp)]nXn", "Co(tdpp)", "Co(tapp)", "Co(tdpp)(pba)2(OTf)", and "Others". The characterization data...
Replication data of B3 group for: “Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2 Type Mechanism” Nov 12, 2024 - SFB 1333 B3 - Laschat group, IOC Stöckl, Yannick, 2024, "Replication data of B3 group for: “Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2 Type Mechanism”", https://doi.org/10.18419/DARUS-4071, DaRUS, V1 In this dataset all HPLC (high performance liquid chromatography) chromatograms and NMR spectra of O,N- and C,N-chelates, intermediates, ate-complexes and borates of the SN2-type addition can be found. Data from collaborating groups can be found in a seperate data set. The NMR spectra is structured according to the chapters of the research article...
Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization" Nov 11, 2024 - SFB 1333 - Estes group, ITC Wimmer, Erik J., 2024, "Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization"", https://doi.org/10.18419/DARUS-3786, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. The data (mainly NMR data) is structured via the names of used acids and Pd catalysts discussed in the publication. Additionally, a script for kinetic data modelling is added. Data types: Bruker-N...
Supplementary material for "The Effects of Surfaces and Confinement on Formic Acid Dehydrogenation Catalyzed by an Immobilized Ru-H Complex: Insights from Molecular Simulation and Neutron Scattering" Nov 4, 2024 - Institute of Thermodynamics and Thermal Process Engineering Högler, Marc; Hansen, Niels, 2024, "Supplementary material for "The Effects of Surfaces and Confinement on Formic Acid Dehydrogenation Catalyzed by an Immobilized Ru-H Complex: Insights from Molecular Simulation and Neutron Scattering"", https://doi.org/10.18419/DARUS-3584, DaRUS, V1, UNF:6:UUPJqhG8eXR2naMF0KSYGQ== [fileUNF] This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp) are provided for bulk simulations of pure dioxane and formic acid as well as mixture of both in pore and bulk simulation. The pore simulation is divided into three steps, an energ...
Replication Data for: "Influence of Water Content on Speciation and Phase Formation in Zr–Porphyrin-Based MOFs" Jul 29, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF Koschnick, Charlotte; Terban, Maxwell; Canossa, Stefano; Etter, Martin; Dinnebier, Robert; Lotsch, Bettina V., 2024, "Replication Data for: "Influence of Water Content on Speciation and Phase Formation in Zr–Porphyrin-Based MOFs"", https://doi.org/10.18419/DARUS-4423, DaRUS, V1, UNF:6:/bekFhWZIFrCKtltofEuxQ== [fileUNF] All primary data files of the journal article mentioned can be found here. The data is structured by the measurement techniques in the subfolders "PXRD", "TGA", "NMR", "PDF", and "Sorption". The characterization data are recorded experimentally. The characterization data can be used to replicate the experiments and to evaluate and compare the mater...
Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment' Jul 8, 2024 - Institute of Thermodynamics and Thermal Process Engineering Grunenberg, Lars; Kessler, Christopher; Teh, Tiong Wei; Schuldt, Robin; Heck, Fabian; Kästner, Johannes; Gross, Joachim; Hansen, Niels; Lotsch, Bettina V., 2024, "Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'", https://doi.org/10.18419/DARUS-3269, DaRUS, V1, UNF:6:vHsUiLwzEUUMiOsYM8xu+Q== [fileUNF] This dataset contains input files and results from Grand Canonical Monte Carlo (GCMC) adsorption simulation and Molecular Dynamics (MD) Simulation. All data is presented in a jupyter notebook and for a fast overview without executing the notebook also as PDF-file. Furthermore the dataset contains the modified cif files of COF PI-3, including partia...

Replication Data for: Olefin Metathesis and Stereoselective Ring-Opening Metathesis Polymerization with Neutral and Cationic Molybdenum(VI) Imido and Tungsten(VI) Oxo Alkylidene Complexes Containing N-Chelating N-Heterocyclic Carbenes

Nov 22, 2024 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Bhattacharya, Somnath; Ziegler, Felix, 2024, "Replication Data for: Olefin Metathesis and Stereoselective Ring-Opening Metathesis Polymerization with Neutral and Cationic Molybdenum(VI) Imido and Tungsten(VI) Oxo Alkylidene Complexes Containing N-Chelating N-Heterocyclic Carbenes", https://doi.org/10.18419/DARUS-4581, DaRUS, V1

All primary data files associated with this publication, experimental procedures, reaction conditions and used analytical equipment can be found in detail in the experimental section or in the supporting information of the paper. Synthesized liagands (L1, L2 and L3) and complexes (W1, W2, Mo1-Mo5) and polymers were characterized via nuclear magneti...

Publication data for: "Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation" - data from Estes group

Nov 22, 2024 - SFB 1333 - Estes group, ITC

Nguyen, Hoang-Huy; Li, Zheng; Enenkel, Toni; Bauer, Matthias; Dyballa, Michael; Estes, Deven P., 2024, "Publication data for: "Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation" - data from Estes group", https://doi.org/10.18419/DARUS-1654, DaRUS, V1

This file contains all the characterization and reactivity data for our publication given in the title. This includes all catalyst characterization data (NMR, IR, and XAS data) and reactivity data (NMR spectra and excel tables containing the results).

Replication Data for: Using Support Effects to Increase the Productivity of Immobilized Ruthenium Hydride Catalysts for the Hydrogenation of CO2

Nov 22, 2024 - Estes Group

Estes, Deven P., 2024, "Replication Data for: Using Support Effects to Increase the Productivity of Immobilized Ruthenium Hydride Catalysts for the Hydrogenation of CO2", https://doi.org/10.18419/DARUS-4565, DaRUS, V1

Replication data for the paper: Using Support Effects to Increase the Productivity of Immobilized Ruthenium Hydride Catalysts for the Hydrogenation of CO2. Contains NMR and IR data for both the catalyst characterization (before and after catalysis) as well as the reaction NMR spectra and a table with the catalytic data summarized.

Data for Hydrogen Spillover through Hydride Transfer: The Reaction of ZnO and ZrO2 with Strong Hydride Donors

Nov 22, 2024 - Estes Group

Benz, Michael, 2024, "Data for Hydrogen Spillover through Hydride Transfer: The Reaction of ZnO and ZrO2 with Strong Hydride Donors", https://doi.org/10.18419/DARUS-4263, DaRUS, V1, UNF:6:/prwO0mYU07zXPJebhlu5A== [fileUNF]

The data set contains TEM images, XAS data, EPR data, MAS NMR data and NMR data of zinc oxide and zirconium oxide samples before and after treatment with molecular metal hydrides.

Replication Data for: "Crystalline porous frameworks based on double extension of metal-organic and covalent organic linkages"

Nov 20, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF

Endo, Kenichi; Canossa, Stefano; Heck, Fabian; Proserpio, Davide M.; Istek, Muhammed Satukbugra; Stemmler, Friedrich; van Slageren, Joris; Hartmann, Sean; Hartschuh, Achim; Lotsch, Bettina V., 2024, "Replication Data for: "Crystalline porous frameworks based on double extension of metal-organic and covalent organic linkages"", https://doi.org/10.18419/DARUS-4566, DaRUS, V1, UNF:6:3yz8QuVP+bonrBlRSFRwJw== [fileUNF]

All primary data files of the journal article mentioned can be found here. The data is structured by materials. The characterization data of each material are located in the subfolders "MOCOF-1", "MOCOF-1-R2", "MOCOF-2", "MOCOF-3", "COF-366-Co", "[Co(tapp)]nXn", "Co(tdpp)", "Co(tapp)", "Co(tdpp)(pba)2(OTf)", and "Others". The characterization data...

Replication data of B3 group for: “Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2 Type Mechanism”

Nov 12, 2024 - SFB 1333 B3 - Laschat group, IOC

Stöckl, Yannick, 2024, "Replication data of B3 group for: “Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2 Type Mechanism”", https://doi.org/10.18419/DARUS-4071, DaRUS, V1

In this dataset all HPLC (high performance liquid chromatography) chromatograms and NMR spectra of O,N- and C,N-chelates, intermediates, ate-complexes and borates of the SN2-type addition can be found. Data from collaborating groups can be found in a seperate data set. The NMR spectra is structured according to the chapters of the research article...

Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization"

Nov 11, 2024 - SFB 1333 - Estes group, ITC

Wimmer, Erik J., 2024, "Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization"", https://doi.org/10.18419/DARUS-3786, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. The data (mainly NMR data) is structured via the names of used acids and Pd catalysts discussed in the publication. Additionally, a script for kinetic data modelling is added. Data types: Bruker-N...

Supplementary material for "The Effects of Surfaces and Confinement on Formic Acid Dehydrogenation Catalyzed by an Immobilized Ru-H Complex: Insights from Molecular Simulation and Neutron Scattering"

Nov 4, 2024 - Institute of Thermodynamics and Thermal Process Engineering

Högler, Marc; Hansen, Niels, 2024, "Supplementary material for "The Effects of Surfaces and Confinement on Formic Acid Dehydrogenation Catalyzed by an Immobilized Ru-H Complex: Insights from Molecular Simulation and Neutron Scattering"", https://doi.org/10.18419/DARUS-3584, DaRUS, V1, UNF:6:UUPJqhG8eXR2naMF0KSYGQ== [fileUNF]

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp) are provided for bulk simulations of pure dioxane and formic acid as well as mixture of both in pore and bulk simulation. The pore simulation is divided into three steps, an energ...

Replication Data for: "Influence of Water Content on Speciation and Phase Formation in Zr–Porphyrin-Based MOFs"

Jul 29, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF

Koschnick, Charlotte; Terban, Maxwell; Canossa, Stefano; Etter, Martin; Dinnebier, Robert; Lotsch, Bettina V., 2024, "Replication Data for: "Influence of Water Content on Speciation and Phase Formation in Zr–Porphyrin-Based MOFs"", https://doi.org/10.18419/DARUS-4423, DaRUS, V1, UNF:6:/bekFhWZIFrCKtltofEuxQ== [fileUNF]

All primary data files of the journal article mentioned can be found here. The data is structured by the measurement techniques in the subfolders "PXRD", "TGA", "NMR", "PDF", and "Sorption". The characterization data are recorded experimentally. The characterization data can be used to replicate the experiments and to evaluate and compare the mater...

Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'

Jul 8, 2024 - Institute of Thermodynamics and Thermal Process Engineering

Grunenberg, Lars; Kessler, Christopher; Teh, Tiong Wei; Schuldt, Robin; Heck, Fabian; Kästner, Johannes; Gross, Joachim; Hansen, Niels; Lotsch, Bettina V., 2024, "Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'", https://doi.org/10.18419/DARUS-3269, DaRUS, V1, UNF:6:vHsUiLwzEUUMiOsYM8xu+Q== [fileUNF]

This dataset contains input files and results from Grand Canonical Monte Carlo (GCMC) adsorption simulation and Molecular Dynamics (MD) Simulation. All data is presented in a jupyter notebook and for a fast overview without executing the notebook also as PDF-file. Furthermore the dataset contains the modified cif files of COF PI-3, including partia...

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