Single-crystal x-ray diffraction structures of covalent organic frameworks

DOI: 10.1126/science.aat7679

Authors: Tianqiong Ma (Lanzhou University; Peking University) , Eugene A. Kapustin (Berkeley Global Science Institute) , Shawn X. Yin (Bristol-Myers Squibb Co.) , Lin Liang (Lanzhou University) , Zhengyang Zhou (Peking University) , Jing Niu (Lanzhou University) , Li-Hua Li (Lanzhou University) , Yingying Wang (Lanzhou University) , Jie Su (Peking University) , Jian Li (Peking University) , Xiaoge Wang (Peking University) , Wei David Wang (Lanzhou University) , Wei Wang (Lanzhou University; Collaborative Innovation Center of Chemical Science and Engineering) , Junliang Sun (Peking University) , Omar M. Yaghi (University of California-Berkeley; King Abdulaziz City for Science and Technology)
Co-authored by industrial partner: Yes

Type: Journal Paper
Journal: Science , VOL 361 , PAGES 48 - 52

State: Published (Approved)
Published: July 2018

Abstract: The crystallization problem is an outstanding challenge in the chemistry of porous covalent organic frameworks (COFs). Their structural characterization has been limited to modeling and solutions based on powder x-ray or electron diffraction data. Single crystals of COFs amenable to x-ray diffraction characterization have not been reported. Here, we developed a general procedure to grow large single crystals of three-dimensional imine-based COFs (COF-300, hydrated form of COF-300, COF-303, LZU-79, and LZU-111). The high quality of the crystals allowed collection of single-crystal x-ray diffraction data of up to 0.83-angstrom resolution, leading to unambiguous solution and precise anisotropic refinement. Characteristics such as degree of interpenetration, arrangement of water guests, the reversed imine connectivity, linker disorder, and uncommon topology were deciphered with atomic precision—aspects impossible to determine without single crystals.

Subject Areas: Materials, Chemistry


Instruments: I19-Small Molecule Single Crystal Diffraction

Other Facilities: Shanghai Synchrotron Radiation Facility

Added On: 10/07/2018 12:01

Discipline Tags:

Chemistry Materials Science Organic Chemistry

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD)