scholarly journals Reticular design and crystal structure determination of covalent organic frameworks

2021 ◽  
Author(s):  
Ha L. Nguyen
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Structure Determination ◽  
Rational Design ◽  
Crystal Structure Determination ◽  
Conceptual Basis ◽  
X Ray Diffraction ◽  
Topological Approach ◽  
X Ray

This article describes the conceptual basis of rational design in COF chemistry and comprehensively discusses the crystal structure determination of COFs using the topological approach, X-ray diffraction, and 3D electron diffraction.

Crystal structure determination of Ag2Ga by single crystal X-ray diffraction

1998 ◽  
Vol 213 (12) ◽  
Author(s):  
A. E. Gunnæs ◽  
A. Olsen ◽  
P. T. Zagierski ◽  
B. Klewe ◽  
O. B. Karlsen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
X Ray

AbstractThe crystal structure of

Azine bridged silver coordination polymers: Powder X-ray diffraction route to crystal structure determination of silver benzotriazole

2006 ◽  
Vol 179 (4) ◽  
pp. 1053-1059 ◽  
Author(s):  
Manju Rajeswaran ◽  
Thomas N. Blanton ◽  
David J. Giesen ◽  
David R. Whitcomb ◽  
Nicholas Zumbulyadis ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Coordination Polymers ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals The First Covalent Organic Framework solved by Rotation Electron Diffraction

2014 ◽  
Vol 70 (a1) ◽  
pp. C191-C191
Author(s):  
Jie Su ◽  
Yue-Biao Zhang ◽  
Yifeng Yun ◽  
Hiroyasu Furukawa ◽  
Felipe Gándara ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Single Crystal ◽  
Structure Determination ◽  
Software Package ◽  
Single Crystal Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Molecular Arrangement

Covalent organic frameworks (COFs) represent an exciting new type of porous organic materials, which are constructed with organic building units via strong covalent bonds.[1] The structure determination of COFs is challenging, due to the difficulty in growing sufficiently large crystals suitable for single crystal X-ray diffraction, and low resolution and peak broadening for powder X-ray diffraction. Crystal structures of COFs are typically determined by modelling building with the aid of geometry principles in reticular chemistry and powder X-ray diffraction data. Here, we report the single-crystal structure of a new COF (COF-320) determined by 3D rotation electron diffraction (RED),[2] a technique applied in this context for the first time. The RED method can collect an almost complete three-dimensional electron diffraction dataset, and is a useful technique for structure determination of micron- and nanosized single crystals. To minimize electron beam damage, the RED dataset was collected at 89 K. 3D reciprocal lattice of COF-320 was reconstructed from the ED frames using the RED – data processing software[2]. As the resolution of the RED data only reached 1.6 Å, the simulated annealing parallel tempering algorithm in the FOX software package [3] was used to find a starting molecular arrangement from the 3D RED data. Finally, the crystal structure of COF-320 was solved in the space group of I-42d and refined using the SHELXL software package. The single-crystal structure of COF-320 exhibits a 3D extended framework by linking the tetrahedral organic building blocks and biphenyl linkers through imine-bonds forming a highly porous 9-fold interwoven diamond net.

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