Replication data for "Amine-Linked Covalent Organic Frameworks as a Platform for Postsynthetic Structure Interconversion and Pore-Wall Modification"

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. 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. 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.

共价有机框架作为一种强大的合成平台，已广泛应用于在具有原子精度的晶体聚合物骨架上安装和相互转换专用的分子功能。本研究提出了一种新颖的策略，旨在直接获取胺基连接的共价有机框架，该框架可作为支架，通过基于甲酸和甲酸铵的Leuckart-Wallach还原反应的新合成方法，实现对孔壁的修饰和连接转换。通过一步法，从亚胺连接的框架或直接从相应的连接剂中获得了完全由次级胺连接、混合胺/亚胺键以及部分甲酰化的胺连接构成的框架。新获得的二维胺基连接共价有机框架，包括rPI-3-COF、rTTI-COF和rPy1P-COF，具有高结晶度和大的表面积。将次级胺安装在孔壁上作为反应位点，可进一步进行合成后的功能化，以获取具有提高水解稳定性的定制共价有机框架，作为潜在的异相催化剂。该数据集包含了所有分析测量数据，包括傅里叶变换红外光谱（FT-IR）、计算的IR模式、原始XRD图案、1H、13C、15N和1H/13C-HETCOR固态核磁共振光谱、N2吸附等温线、孔径分布、BET图、扫描电子显微镜（SEM）和透射电子显微镜（TEM）图像、SEM-EDX光谱、量子化学优化结构、计算的核磁共振化学位移、还原总散射模式、PDF分析和Rietveld结构精修，这些数据均来自相关出版物中提到的期刊文章。请使用可视化软件打开*.cif和*.xyz文件（请参阅http://ww1.iucr.org/iucr-top/cif/），使用WinXPOW打开*.raw文件，使用PerkinElmer光谱软件打开*.sp文件，使用MestReNova打开*.mnova文件，使用文本编辑器打开*.fq/.gr/iq/sq文件，使用CorelDraw 2020打开*.cdr文件，使用TOPAS打开*.pro文件。