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Title: Mechanosynthesis of higher-order cocrystals: tuning order, functionality and size in cocrystal design
Authors: Ng, Zi Xuan
Tan, Davin
Teo, Wei Liang
León, Felix
Shi, Xiaoyan
Sim, Ying
Li, Yongxin
Ganguly, Rakesh
Zhao, Yanli
Mohamed, Sharmarke
García, Felipe
Keywords: Science::Chemistry
Issue Date: 2021
Source: Ng, Z. X., Tan, D., Teo, W. L., León, F., Shi, X., Sim, Y., Li, Y., Ganguly, R., Zhao, Y., Mohamed, S. & García, F. (2021). Mechanosynthesis of higher-order cocrystals: tuning order, functionality and size in cocrystal design. Angewandte Chemie International Edition, 60(32), 17481-17490.
Project: A1783c0003
Journal: Angewandte Chemie International Edition 
Abstract: The ability to rationally design and predictably construct crystalline solids has been the hallmark of crystal engineering research. To date, numerous examples of multicomponent crystals comprising organic molecules have been reported. However, the crystal engineering of cocrystals comprising both organic and inorganic chemical units is still poorly understood and mostly unexplored. Here, we report a new diverse set of higher-order cocrystals (HOCs) based on the structurally versatile-yet largely unexplored-phosph(V/V)azane heterosynthon building block. The novel ternary and quaternary cocrystals reported are held together by synergistic and orthogonal intermolecular interactions. Notably, the HOCs can be readily obtained either via sequential or one-pot mechanochemical methods. Computational modelling methods reveal that the HOCs are thermodynamically driven to form and that their mechanical properties strongly depend on the composition and intermolecular forces in the crystal, offering untapped potential for optimizing material properties.
ISSN: 1433-7851
DOI: 10.1002/anie.202101248
Schools: School of Physical and Mathematical Sciences 
Rights: © 2021 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SPMS Journal Articles

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