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 INF - Pleiss, Hansen, Endo

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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151 to 160 of 195 Results

Data for: "Towards Highly Conducting Bicarbazole Redoxpolymer Films with Plateau-like Conductivities" May 5, 2021 - SFB 1333 A2 - Ludwigs group, IPOC-FP Malacrida, Claudia, 2021, "Data for: "Towards Highly Conducting Bicarbazole Redoxpolymer Films with Plateau-like Conductivities"", https://doi.org/10.18419/DARUS-1418, DaRUS, V1, UNF:6:Ebm2wQEvxBy8vaBQ9pPnuQ== [fileUNF] The dataset for this publication explains conductivity dependency on doping levels achieved by chemical or electrochemical doping on crosslinkable Carbazole or Triarylamine units presenting Structure Property Relationships. Conductivities are measured via 4-point probe and electrochemical characterization is coupled with in-situ conductance and spe...
Replication Data for: "Efficient and Spatially Controlled Functionalization of SBA-15 and Initial Results in Asymmetric Rh-Catalyzed 1,2-Additions under Confinement" May 5, 2021 - SFB 1333 A4 - Traa group, ITC Beurer, Ann-Katrin; Kirchhof, Manuel; Bruckner, Johanna R.; Dyballa, Michael, 2021, "Replication Data for: "Efficient and Spatially Controlled Functionalization of SBA-15 and Initial Results in Asymmetric Rh-Catalyzed 1,2-Additions under Confinement"", https://doi.org/10.18419/DARUS-1774, DaRUS, V1 The manuscript describes a method, which ensures a selective functionalization of the mesopore surface with a clickable linker and thus makes it possible to study confinement effects during catalyzed reactions. First, the silanol groups on the particle surface and in the pore entrances of the SBA-15 are passivated. By solvent extraction, the templa...
Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study" May 4, 2021 - SFB 1333 B3 - Laschat group, IOC Schädel, Nicole, 2021, "Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"", https://doi.org/10.18419/DARUS-1803, DaRUS, V1, UNF:6:5F+vcHTYWzP6WFxNfehFGQ== [fileUNF] This dataset includes the calculated energy barriers of the C‐N‐C‐O bond rotation in dependency of the angle (Computational Results) as well as the NMR spectra of all investigated compounds (NMR data).
Replication data of B3 group for: "Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh‐diene Complexes" May 3, 2021 - SFB 1333 B3 - Laschat group, IOC Deimling, Max, 2021, "Replication data of B3 group for: "Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh‐diene Complexes"", https://doi.org/10.18419/DARUS-1810, DaRUS, V1 This dataset contains NMR and HPLC (high performance liquid chromotagraphy) data of all shown compounds. Data from collaborating groups can be found in a seperate data set. The data is structured according to figures and schemes in the research article.
Replication data for: "Phase behaviour of alkynyl-terminated bicyclo[3.3.0]octa-1,4-diene ligands: a serendipitous discovery of novel calamitic liquid crystals" May 3, 2021 - SFB 1333 B3 - Laschat group, IOC Schulz, Finn; Deimling, Max, 2021, "Replication data for: "Phase behaviour of alkynyl-terminated bicyclo[3.3.0]octa-1,4-diene ligands: a serendipitous discovery of novel calamitic liquid crystals"", https://doi.org/10.18419/DARUS-1809, DaRUS, V1 This dataset includes NMR, POM images (polarized optical microscopy), DSC data (differential scanning calorimetry), WAXS data (wide angle x-ray scattering) and SAXS data (small angle x-ray scattering) of all compounds in this publication. The data is structured according to figures and schemes in the research article.
Catalysis Data and NMR Characterization of all Compounds for "Asymmetric Catalysis in Liquid Confinement: Probing the Performance of Novel Chiral Rhodium-Diene Complexes in Microemulsions and Conventional Solvents" May 3, 2021 - SFB 1333 B3 - Laschat group, IOC Deimling, Max; Kirchhof, Manuel, 2021, "Catalysis Data and NMR Characterization of all Compounds for "Asymmetric Catalysis in Liquid Confinement: Probing the Performance of Novel Chiral Rhodium-Diene Complexes in Microemulsions and Conventional Solvents"", https://doi.org/10.18419/DARUS-1426, DaRUS, V1 In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the NMR data of temperature dependent kinetics in dioxane and in the microemulsion (Kinetiken) are listed.
Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes Apr 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Probst, Patrick; Elser, Iris; Schowner, Roman; Benedikter, Mathis; Buchmeiser, Michael, 2021, "Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes", https://doi.org/10.18419/DARUS-1691, DaRUS, V1, UNF:6:BwlHr5q1geHqOx5CFuqWLA== [fileUNF] All primary data files and processed data of the journal article from Buchmeiser group. Spectroscopic data of the different polymers is put into folders for each polymer, data of table 1 is given as excel sheet, and an overview of the different catalysts as .tif image is attatched.
Data for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach" Apr 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Benedikter, Mathis, 2021, "Data for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach"", https://doi.org/10.18419/DARUS-1701, DaRUS, V1 All primary data files contributed to the publication by the Buchmeiser group can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Productivities in olefin metathesis reactions were examined via gas-chromatography / mass spectr...
Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects' Apr 29, 2021 - Molecular Simulation Kobayashi, Takeshi; Kraus, Hamzeh; Hansen, Niels; Fyta, Maria, 2021, "Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'", https://doi.org/10.18419/DARUS-1138, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper. The data of the final NVT production simulation run are stored for the two phase, bulk and pore systems.
Data for: "Synthesis of trans-Isotactic Poly(norbornene)s through Living Ring-Opening Metathesis Polymerization Initiated by Group VI Imido Alkylidene N-Heterocyclic Carbene Complexes" Apr 22, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Benedikter, Mathis, 2021, "Data for: "Synthesis of trans-Isotactic Poly(norbornene)s through Living Ring-Opening Metathesis Polymerization Initiated by Group VI Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-1700, DaRUS, V1 All primary data files for the publication can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Nuclear magnetic resonance (NMR) Spectra are named according to the numbering in the publication. ¹H-NMR, ¹⁹F-NMR and ¹³C-NMR spect...

Data for: "Towards Highly Conducting Bicarbazole Redoxpolymer Films with Plateau-like Conductivities"

May 5, 2021 - SFB 1333 A2 - Ludwigs group, IPOC-FP

Malacrida, Claudia, 2021, "Data for: "Towards Highly Conducting Bicarbazole Redoxpolymer Films with Plateau-like Conductivities"", https://doi.org/10.18419/DARUS-1418, DaRUS, V1, UNF:6:Ebm2wQEvxBy8vaBQ9pPnuQ== [fileUNF]

The dataset for this publication explains conductivity dependency on doping levels achieved by chemical or electrochemical doping on crosslinkable Carbazole or Triarylamine units presenting Structure Property Relationships. Conductivities are measured via 4-point probe and electrochemical characterization is coupled with in-situ conductance and spe...

Replication Data for: "Efficient and Spatially Controlled Functionalization of SBA-15 and Initial Results in Asymmetric Rh-Catalyzed 1,2-Additions under Confinement"

May 5, 2021 - SFB 1333 A4 - Traa group, ITC

Beurer, Ann-Katrin; Kirchhof, Manuel; Bruckner, Johanna R.; Dyballa, Michael, 2021, "Replication Data for: "Efficient and Spatially Controlled Functionalization of SBA-15 and Initial Results in Asymmetric Rh-Catalyzed 1,2-Additions under Confinement"", https://doi.org/10.18419/DARUS-1774, DaRUS, V1

The manuscript describes a method, which ensures a selective functionalization of the mesopore surface with a clickable linker and thus makes it possible to study confinement effects during catalyzed reactions. First, the silanol groups on the particle surface and in the pore entrances of the SBA-15 are passivated. By solvent extraction, the templa...

Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"

May 4, 2021 - SFB 1333 B3 - Laschat group, IOC

Schädel, Nicole, 2021, "Computational data and NMR characterization data for "Rotational barriers of carbamate‐protected amine crosslinkers for hydrogels: A combined experimental and computational study"", https://doi.org/10.18419/DARUS-1803, DaRUS, V1, UNF:6:5F+vcHTYWzP6WFxNfehFGQ== [fileUNF]

This dataset includes the calculated energy barriers of the C‐N‐C‐O bond rotation in dependency of the angle (Computational Results) as well as the NMR spectra of all investigated compounds (NMR data).

Replication data of B3 group for: "Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh‐diene Complexes"

May 3, 2021 - SFB 1333 B3 - Laschat group, IOC

Deimling, Max, 2021, "Replication data of B3 group for: "Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh‐diene Complexes"", https://doi.org/10.18419/DARUS-1810, DaRUS, V1

This dataset contains NMR and HPLC (high performance liquid chromotagraphy) data of all shown compounds. Data from collaborating groups can be found in a seperate data set. The data is structured according to figures and schemes in the research article.

Replication data for: "Phase behaviour of alkynyl-terminated bicyclo[3.3.0]octa-1,4-diene ligands: a serendipitous discovery of novel calamitic liquid crystals"

May 3, 2021 - SFB 1333 B3 - Laschat group, IOC

Schulz, Finn; Deimling, Max, 2021, "Replication data for: "Phase behaviour of alkynyl-terminated bicyclo[3.3.0]octa-1,4-diene ligands: a serendipitous discovery of novel calamitic liquid crystals"", https://doi.org/10.18419/DARUS-1809, DaRUS, V1

This dataset includes NMR, POM images (polarized optical microscopy), DSC data (differential scanning calorimetry), WAXS data (wide angle x-ray scattering) and SAXS data (small angle x-ray scattering) of all compounds in this publication. The data is structured according to figures and schemes in the research article.

Catalysis Data and NMR Characterization of all Compounds for "Asymmetric Catalysis in Liquid Confinement: Probing the Performance of Novel Chiral Rhodium-Diene Complexes in Microemulsions and Conventional Solvents"

May 3, 2021 - SFB 1333 B3 - Laschat group, IOC

Deimling, Max; Kirchhof, Manuel, 2021, "Catalysis Data and NMR Characterization of all Compounds for "Asymmetric Catalysis in Liquid Confinement: Probing the Performance of Novel Chiral Rhodium-Diene Complexes in Microemulsions and Conventional Solvents"", https://doi.org/10.18419/DARUS-1426, DaRUS, V1

In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the NMR data of temperature dependent kinetics in dioxane and in the microemulsion (Kinetiken) are listed.

Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes

Apr 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Probst, Patrick; Elser, Iris; Schowner, Roman; Benedikter, Mathis; Buchmeiser, Michael, 2021, "Publication Data for: Regio‐ and Stereospecific Cyclopolymerization of α,ω‐Diynes by Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Complexes", https://doi.org/10.18419/DARUS-1691, DaRUS, V1, UNF:6:BwlHr5q1geHqOx5CFuqWLA== [fileUNF]

All primary data files and processed data of the journal article from Buchmeiser group. Spectroscopic data of the different polymers is put into folders for each polymer, data of table 1 is given as excel sheet, and an overview of the different catalysts as .tif image is attatched.

Data for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach"

Apr 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Benedikter, Mathis, 2021, "Data for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach"", https://doi.org/10.18419/DARUS-1701, DaRUS, V1

All primary data files contributed to the publication by the Buchmeiser group can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Productivities in olefin metathesis reactions were examined via gas-chromatography / mass spectr...

Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'

Apr 29, 2021 - Molecular Simulation

Kobayashi, Takeshi; Kraus, Hamzeh; Hansen, Niels; Fyta, Maria, 2021, "Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'", https://doi.org/10.18419/DARUS-1138, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper. The data of the final NVT production simulation run are stored for the two phase, bulk and pore systems.

Data for: "Synthesis of trans-Isotactic Poly(norbornene)s through Living Ring-Opening Metathesis Polymerization Initiated by Group VI Imido Alkylidene N-Heterocyclic Carbene Complexes"

Apr 22, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Benedikter, Mathis, 2021, "Data for: "Synthesis of trans-Isotactic Poly(norbornene)s through Living Ring-Opening Metathesis Polymerization Initiated by Group VI Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-1700, DaRUS, V1

All primary data files for the publication can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Nuclear magnetic resonance (NMR) Spectra are named according to the numbering in the publication. ¹H-NMR, ¹⁹F-NMR and ¹³C-NMR spect...

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