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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141 to 150 of 195 Results

Data for: "Olefin Ring-closing Metathesis under Spatial Confinement and Continuous Flow" Nov 26, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Ziegler, Felix, 2021, "Data for: "Olefin Ring-closing Metathesis under Spatial Confinement and Continuous Flow"", https://doi.org/10.18419/DARUS-1690, DaRUS, V1 The use of a 2nd-generation Hoveyda-Grubbs-type catalyst immobilized inside mesoporous silica for the application in selective macro(mono)cyclization (MMC) of an alpha,omega-diene under spatially confined and continuous-flow conditions. Data you will find: NMR-Data for the determination of conversion and selectivity of the macrocyclization. MALDI r...
Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives" Oct 29, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Musso, Janis; Benedikter, Mathis; Gebel, Paul; Gramm, Vincent; Schowner, Roman; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives"", https://doi.org/10.18419/DARUS-2222, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: mestrenova, excel, fid. Further experimental for reproduction of experie...
Replication data of Buchmeiser group for: "Cationic Tungsten Imido Alkylidene N-Heterocyclic Carbene Complexes That Contain Bulky Ligands" Oct 7, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Musso, Janis; Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Cationic Tungsten Imido Alkylidene N-Heterocyclic Carbene Complexes That Contain Bulky Ligands"", https://doi.org/10.18419/DARUS-2176, DaRUS, V1 Neutral and cationic tungsten imido alkylidene complexes of the general formulas W(NtBu)(CHR1)(OR2)Cl(NHC),W(N-2,6-bis(2,4,6-tri-iPr-C6H4)phenyl)(CHR1)Cl2(NHC), [W(NtBu)(CHR1)(OR2)(NHC)][B(ArF)4] and [W(N-2,6-bis(2,4,6-tri-iPr-C6H4)phenyl)(CHR1)Cl(NHC)][B(ArF)4] (R 1 = CMe3, CMe2Ph; R2 = sterically demanding alkoxide; B(ArF)4 =tetrakis(3,5-(CF3)2-C...
Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface Sep 30, 2021 - SFB 1333 C1 - Dyballa group, ITC Rieg, Carolin, 2021, "Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface", https://doi.org/10.18419/DARUS-2119, DaRUS, V1 All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset. The dataset contains the measurement results from XRD, ICP-OES, H2-Chemi...
Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes' Sep 14, 2021 - Molecular Simulation Kraus, Hamzeh; Hansen, Niels, 2021, "Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'", https://doi.org/10.18419/DARUS-1752, DaRUS, V1 This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory Mdp) are provided for four simulations - a 2.5 nm pore with one catalyst molecule, a 2.5 nm pore with two catalyst molecules, a 5 nm pore, and a 6 nm pore, all without surface function...
Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis" Aug 11, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"", https://doi.org/10.18419/DARUS-1811, DaRUS, V1 All primary data files of measurements and processed data of the journal article from 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 alkyne metathesis reactions were examined via gas-chr...
Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations' Jul 12, 2021 - Institute of Thermodynamics and Thermal Process Engineering Kessler, Christopher; Eller, Johannes; Gross, Joachim; Hansen, Niels, 2021, "Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'", https://doi.org/10.18419/DARUS-1775, DaRUS, V1, UNF:6:kTnkyWKU1qxxwfkXXMvp8w== [fileUNF] This dataset contains results from classical Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) Simulation. We report excellent agreement between the fluid theoretical approach (DFT), which is a more coarse grained approach and stochastic simulation (GCMC) on an atomistic level. For more detailed information please review the re...
Data for [(.eta.6-Cymene)(3-(pyrid-2-yl)-1,2,4,5-tetrazine)chlororuthenium(II)]+, Redox Noninnocence and Dienophile Addition to Coordinated Tetrazine Jul 5, 2021 - SFB 1333 C2 - Ringenberg group, IAC Schnierle, Marc; Leimkühler, Marie; Ringenberg, Mark, 2021, "Data for [(.eta.6-Cymene)(3-(pyrid-2-yl)-1,2,4,5-tetrazine)chlororuthenium(II)]+, Redox Noninnocence and Dienophile Addition to Coordinated Tetrazine", https://doi.org/10.18419/DARUS-1181, DaRUS, V1 The bidentate ligand 3-(pyrid-2-yl)-1,2,4,5-tetrazines (TzPy) coordinates in the complex [CyRuCl(TzPy)]PF6 [1]+ (Cy =.eta.6-p-cymene). The DFT data, NMR, Kinetics, electrochemical and spectroelectrochemistry data are provided.
Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials" May 5, 2021 - SFB 1333 A4 - Bruckner group Bruckner, Johanna R.; Beurer, Ann-Katrin, 2021, "Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials"", https://doi.org/10.18419/DARUS-1826, DaRUS, V1 All primary data files of measurements and processed data of the associated journal article can be found here. Raw data from physisorption measurements can be found in the dataset of the Traa group. The data is structured according to experiment type and the material investigated and contains the following data types: PDF, TXT, PDH, GIF, DS8D, GFRM...
Data for: "High Conductivities of Disordered P3HT Films by an Electrochemical Doping Strategy" May 5, 2021 - SFB 1333 A2 - Ludwigs group, IPOC-FP Neußer, David, 2021, "Data for: "High Conductivities of Disordered P3HT Films by an Electrochemical Doping Strategy"", https://doi.org/10.18419/DARUS-1409, DaRUS, V1, UNF:6:q/isvz1SmOf715MXo/el9Q== [fileUNF] The related publication to this dataset presents an electrochemical doping strategy for obtaining high solid-state conductivities of P3HT films. Conductivities are measured via 4-line probe and charged species are identified by in-situ and solid-state UV-vis-NIR and EPR spectroscopy.

Data for: "Olefin Ring-closing Metathesis under Spatial Confinement and Continuous Flow"

Nov 26, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Ziegler, Felix, 2021, "Data for: "Olefin Ring-closing Metathesis under Spatial Confinement and Continuous Flow"", https://doi.org/10.18419/DARUS-1690, DaRUS, V1

The use of a 2nd-generation Hoveyda-Grubbs-type catalyst immobilized inside mesoporous silica for the application in selective macro(mono)cyclization (MMC) of an alpha,omega-diene under spatially confined and continuous-flow conditions. Data you will find: NMR-Data for the determination of conversion and selectivity of the macrocyclization. MALDI r...

Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives"

Oct 29, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Musso, Janis; Benedikter, Mathis; Gebel, Paul; Gramm, Vincent; Schowner, Roman; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives"", https://doi.org/10.18419/DARUS-2222, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: mestrenova, excel, fid. Further experimental for reproduction of experie...

Replication data of Buchmeiser group for: "Cationic Tungsten Imido Alkylidene N-Heterocyclic Carbene Complexes That Contain Bulky Ligands"

Oct 7, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Musso, Janis; Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Cationic Tungsten Imido Alkylidene N-Heterocyclic Carbene Complexes That Contain Bulky Ligands"", https://doi.org/10.18419/DARUS-2176, DaRUS, V1

Neutral and cationic tungsten imido alkylidene complexes of the general formulas W(NtBu)(CHR1)(OR2)Cl(NHC),W(N-2,6-bis(2,4,6-tri-iPr-C6H4)phenyl)(CHR1)Cl2(NHC), [W(NtBu)(CHR1)(OR2)(NHC)][B(ArF)4] and [W(N-2,6-bis(2,4,6-tri-iPr-C6H4)phenyl)(CHR1)Cl(NHC)][B(ArF)4] (R 1 = CMe3, CMe2Ph; R2 = sterically demanding alkoxide; B(ArF)4 =tetrakis(3,5-(CF3)2-C...

Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface

Sep 30, 2021 - SFB 1333 C1 - Dyballa group, ITC

Rieg, Carolin, 2021, "Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface", https://doi.org/10.18419/DARUS-2119, DaRUS, V1

All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset. The dataset contains the measurement results from XRD, ICP-OES, H2-Chemi...

Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'

Sep 14, 2021 - Molecular Simulation

Kraus, Hamzeh; Hansen, Niels, 2021, "Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'", https://doi.org/10.18419/DARUS-1752, DaRUS, V1

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory Mdp) are provided for four simulations - a 2.5 nm pore with one catalyst molecule, a 2.5 nm pore with two catalyst molecules, a 5 nm pore, and a 6 nm pore, all without surface function...

Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"

Aug 11, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Publication data for: "Highly Reactive Cationic Molybdenum Alkylidyne N‑Heterocyclic Carbene Catalysts for Alkyne Metathesis"", https://doi.org/10.18419/DARUS-1811, DaRUS, V1

All primary data files of measurements and processed data of the journal article from 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 alkyne metathesis reactions were examined via gas-chr...

Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'

Jul 12, 2021 - Institute of Thermodynamics and Thermal Process Engineering

Kessler, Christopher; Eller, Johannes; Gross, Joachim; Hansen, Niels, 2021, "Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'", https://doi.org/10.18419/DARUS-1775, DaRUS, V1, UNF:6:kTnkyWKU1qxxwfkXXMvp8w== [fileUNF]

This dataset contains results from classical Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) Simulation. We report excellent agreement between the fluid theoretical approach (DFT), which is a more coarse grained approach and stochastic simulation (GCMC) on an atomistic level. For more detailed information please review the re...

Data for [(.eta.6-Cymene)(3-(pyrid-2-yl)-1,2,4,5-tetrazine)chlororuthenium(II)]+, Redox Noninnocence and Dienophile Addition to Coordinated Tetrazine

Jul 5, 2021 - SFB 1333 C2 - Ringenberg group, IAC

Schnierle, Marc; Leimkühler, Marie; Ringenberg, Mark, 2021, "Data for [(.eta.6-Cymene)(3-(pyrid-2-yl)-1,2,4,5-tetrazine)chlororuthenium(II)]+, Redox Noninnocence and Dienophile Addition to Coordinated Tetrazine", https://doi.org/10.18419/DARUS-1181, DaRUS, V1

The bidentate ligand 3-(pyrid-2-yl)-1,2,4,5-tetrazines (TzPy) coordinates in the complex [CyRuCl(TzPy)]PF6 [1]+ (Cy =.eta.6-p-cymene). The DFT data, NMR, Kinetics, electrochemical and spectroelectrochemistry data are provided.

Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials"

May 5, 2021 - SFB 1333 A4 - Bruckner group

Bruckner, Johanna R.; Beurer, Ann-Katrin, 2021, "Replication data of Gießelmann/Bruckner group for: "Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials"", https://doi.org/10.18419/DARUS-1826, DaRUS, V1

All primary data files of measurements and processed data of the associated journal article can be found here. Raw data from physisorption measurements can be found in the dataset of the Traa group. The data is structured according to experiment type and the material investigated and contains the following data types: PDF, TXT, PDH, GIF, DS8D, GFRM...

Data for: "High Conductivities of Disordered P3HT Films by an Electrochemical Doping Strategy"

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

Neußer, David, 2021, "Data for: "High Conductivities of Disordered P3HT Films by an Electrochemical Doping Strategy"", https://doi.org/10.18419/DARUS-1409, DaRUS, V1, UNF:6:q/isvz1SmOf715MXo/el9Q== [fileUNF]

The related publication to this dataset presents an electrochemical doping strategy for obtaining high solid-state conductivities of P3HT films. Conductivities are measured via 4-line probe and charged species are identified by in-situ and solid-state UV-vis-NIR and EPR spectroscopy.

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