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Part 1: Document Description
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Citation |
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Title: |
Replication data for "Amine-Linked Covalent Organic Frameworks as a Platform for Postsynthetic Structure Interconversion and Pore-Wall Modification" |
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Identification Number: |
doi:10.18419/darus-1813 |
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Distributor: |
DaRUS |
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Date of Distribution: |
2022-04-04 |
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Version: |
1 |
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Bibliographic Citation: |
Grunenberg, Lars; Savasci, Gökcen; Terban, Maxwell; Duppel, Viola; Moudrakovski, Igor; Etter, Martin; Dinnebier, Robert; Ochsenfeld, Christian; Lotsch, Bettina V., 2022, "Replication data for "Amine-Linked Covalent Organic Frameworks as a Platform for Postsynthetic Structure Interconversion and Pore-Wall Modification"", https://doi.org/10.18419/DARUS-1813, DaRUS, V1 |
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Citation |
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Title: |
Replication data for "Amine-Linked Covalent Organic Frameworks as a Platform for Postsynthetic Structure Interconversion and Pore-Wall Modification" |
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Identification Number: |
doi:10.18419/darus-1813 |
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Authoring Entity: |
Grunenberg, Lars (Max Planck Institute for Solid State Research) |
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Savasci, Gökcen (Max Planck Institute for Solid State Research) |
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Terban, Maxwell (Max Planck Institute for Solid State Research) |
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Duppel, Viola (Max Planck Institute for Solid State Research) |
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Moudrakovski, Igor (Max Planck Institute for Solid State Research) |
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Etter, Martin (Deutsches Elektronen-Synchrotron (DESY)) |
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Dinnebier, Robert (Max Planck Institute for Solid State Research) |
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Ochsenfeld, Christian (Department of Chemistry, University of Munich (LMU)) |
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Lotsch, Bettina V. (Max Planck Institute for Solid State Research) |
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Other identifications and acknowledgements: |
Grunenberg, Lars |
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Grant Number: |
info:eu-repo/grantAgreement/EC/H2020/639233 |
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Grant Number: |
358283783 - SFB 1333 |
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Grant Number: |
390776260 - EXC 2089 |
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Distributor: |
DaRUS |
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Access Authority: |
Lotsch, Bettina V. |
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Depositor: |
Grunenberg, Lars |
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Date of Deposit: |
2021-04-26 |
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Holdings Information: |
https://doi.org/10.18419/DARUS-1813 |
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Study Scope |
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Keywords: |
Chemistry, Covalent Organic Framework |
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Abstract: |
<p>Covalent organic frameworks have emerged as a powerful synthetic platform for installing and interconverting dedicated molecular functions on a crystalline polymeric backbone with atomic precision. Here, we present a novel strategy to directly access amine-linked covalent organic frameworks, which serve as a scaffold enabling pore-wall modification and linkage-interconversion by new synthetic methods based on Leuckart–Wallach reduction with formic acid and ammonium formate. Frameworks connected entirely by secondary amine linkages, mixed amine/imine bonds, and partially formylated amine linkages are obtained in a single step from imine-linked frameworks or directly from corresponding linkers in a one-pot crystallization-reduction approach. The new, 2D amine-linked covalent organic frameworks, rPI-3-COF, rTTI-COF, and rPy1P-COF, are obtained with high crystallinity and large surface areas. Secondary amines, installed as reactive sites on the pore wall, enable further postsynthetic functionalization to access tailored covalent organic frameworks, with increased hydrolytic stability, as potential heterogeneous catalysts.</p> <p>This dataset contains all data from analytical measurements including FT-IR spectra, calculated IR modes, raw XRD patterns, 1H, 13C, 15N and 1H/13C-HETCOR ssNMR spectra, N2 sorption isotherms, pore-size distributions, BET plots, SEM and TEM images, SEM-EDX spectra, quantum-chemically optimized structures, calculated NMR chemical shifts, reduced total scattering patterns, PDF analysis and Rietveld structure refinements of the journal article mentioned under the related publication.</p> Open *.cif and *.xyz files with a visualization software (see http://ww1.iucr.org/iucr-top/cif/), *.raw files with WinXPOW, *.sp files with PerkinElmer Spectrum software, *.mnova files with MestReNova, *.fq/.gr/iq/sq files with a text editor, *.cdr files with CorelDraw 2020 and *.pro files with TOPAS. |
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Kind of Data: |
experimental data |
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Notes: |
View data by "tree" to understand the file structure and file names according to the designations used in the original publication. |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
L. Grunenberg, G. Savasci, M.W. Terban, V. Duppel, I. Moudrakovski, M. Etter, R.E. Dinnebier, C. Ochsenfeld, B.V. Lotsch. Amine-Linked Covalent Organic Frameworks as a Platform for Postsynthetic Structure Interconversion and Pore-Wall Modification. J. Am. Chem. Soc. 2021, 143, 3430-3438. |
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Identification Number: |
10.1021/jacs.0c12249 |
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Bibliographic Citation: |
L. Grunenberg, G. Savasci, M.W. Terban, V. Duppel, I. Moudrakovski, M. Etter, R.E. Dinnebier, C. Ochsenfeld, B.V. Lotsch. Amine-Linked Covalent Organic Frameworks as a Platform for Postsynthetic Structure Interconversion and Pore-Wall Modification. J. Am. Chem. Soc. 2021, 143, 3430-3438. |
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LG-184_6MNaOH_THF.csv |
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application/octet-stream |
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application/octet-stream |
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application/octet-stream |
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TTI-COF.mnova |
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application/octet-stream |
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disordered_rPI-3_LG288-1_2D.opt_singleLayerExtract_16Layer_a-a-refinement.cif |
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chemical/x-cif |
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pfrPI-3-COF_LG277_2D.opt_singleLayerExtract_16Layer_a-a-refinement.cif |
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chemical/x-cif |
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pfrPI-3-COF_LG277_2D.opt_singleLayerExtract_16Layer_ab-refinement.cif |
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chemical/x-cif |
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rPI-3_LG-224_2D.opt_singleLayerExtract_16Layer_a-a-refinement.cif |
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chemical/x-cif |
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rPI-3-COF_LG-224_Lorch-Q5.txt |
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LG-113_BET.txt |
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LG-113_PSD.txt |
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LG-335_BET.txt |
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LG-335_PSD_equil.txt |
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LG-336_BET.txt |
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LG-336_PSd_ads.txt |
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LG-336_PSD_equil.txt |
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LG-264_1_BET.txt |
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LG-264_1_Iso.txt |
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LG-264_1_PSD_ads.txt |
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LG-264_1_PSD_equil.txt |
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LG-173_BET.txt |
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LG-173_Isotherme.txt |
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LG-173_PSD.txt |
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LG-165_BET.txt |
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LG-165_Isotherme.txt |
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LG-165_PSD.txt |
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LG-165_PSD_equilmodel.txt |
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LG-184_BET.txt |
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LG-184_Isotherme.txt |
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LG-184_PSD.txt |
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LG-224_BET.txt |
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LG-224_Isotherme.txt |
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LG-224_PSD_ads.txt |
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LG-224_PSD_equil.txt |
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