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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111 to 120 of 185 Results

Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes" Dec 17, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-2297, DaRUS, V1 The synthesis of neutral tungsten sulfido alkylidene complexes as well as cationic tungsten alkylidene NHC complexes is outlined. The first tungsten sulfido alkylidene complexes for olefin metathesis reactions were synthesized. Alkylidyne complexes were used as precursors and were reacted with hydrogen sulfide to protonate the alkylidyne ligand. Da...
Replication Data for: A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Acikalin, Hande; Ziegler, Felix; Buchmeiser, Michael, 2021, "Replication Data for: A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports", https://doi.org/10.18419/DARUS-2243, DaRUS, V1, UNF:6:p82WcxeApActls7MElmKaA== [fileUNF] All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. Further experimental for reproduction of experiments can be found in the Supporting Information. We report on the first ROMP-derived, poly(norborn-2-ene)-based monolithic supports with such t...
Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes" Nov 30, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF Ziegler, Felix; Benedikter, Mathis; Wang, Dongren, 2021, "Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-2248, 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: qps, txt, fid, mnova
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...

Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"

Dec 17, 2021 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF

Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-2297, DaRUS, V1

The synthesis of neutral tungsten sulfido alkylidene complexes as well as cationic tungsten alkylidene NHC complexes is outlined. The first tungsten sulfido alkylidene complexes for olefin metathesis reactions were synthesized. Alkylidyne complexes were used as precursors and were reacted with hydrogen sulfide to protonate the alkylidyne ligand. Da...

Replication Data for: A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports

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

Acikalin, Hande; Ziegler, Felix; Buchmeiser, Michael, 2021, "Replication Data for: A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports", https://doi.org/10.18419/DARUS-2243, DaRUS, V1, UNF:6:p82WcxeApActls7MElmKaA== [fileUNF]

All primary data files of measurements and processed data of the journal article mentioned under related publications from Buchmeiser group can be found here. Further experimental for reproduction of experiments can be found in the Supporting Information. We report on the first ROMP-derived, poly(norborn-2-ene)-based monolithic supports with such t...

Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"

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

Ziegler, Felix; Benedikter, Mathis; Wang, Dongren, 2021, "Replication data of Buchmeiser group for: "Confinement Effects for Efficient Macrocyclization Reactions with supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-2248, 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: qps, txt, fid, mnova

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

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...

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