Volume 225, 2021

Can 3D electron diffraction provide accurate atomic structures of metal–organic frameworks?

Abstract

Many framework materials such as metal–organic frameworks (MOFs) or porous coordination polymers (PCPs) are synthesized as polycrystalline powders, which are too small for structure determination by single crystal X-ray diffraction (SCXRD). Here, we show that a three-dimensional (3D) electron diffraction method, namely continuous rotation electron diffraction (cRED), can be used for ab initio structure determination of such materials. As an example, we present the complete structural analysis of a biocomposite, denoted BSA@ZIF-CO3-1, in which Bovine Serum Albumin (BSA) was encapsulated in a zeolitic imidazolate framework (ZIF). Low electron dose was combined with ultrafast cRED data collection to minimize electron beam damage to the sample. We demonstrate that the atomic structure obtained by cRED is as reliable and accurate as that obtained by single crystal X-ray diffraction. The high accuracy and fast data collection open new opportunities for investigation of cooperative phenomena in framework structures at the atomic level.

Graphical abstract: Can 3D electron diffraction provide accurate atomic structures of metal–organic frameworks?

Associated articles

Supplementary files

Article information

Article type
Paper
Submitted
22 ene. 2020
Accepted
12 mar. 2020
First published
12 mar. 2020
This article is Open Access
Creative Commons BY license

Faraday Discuss., 2021,225, 118-132

Can 3D electron diffraction provide accurate atomic structures of metal–organic frameworks?

Z. Huang, M. Ge, F. Carraro, C. Doonan, P. Falcaro and X. Zou, Faraday Discuss., 2021, 225, 118 DOI: 10.1039/D0FD00015A

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