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DC Field | Value | Language |
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dc.contributor.author | Ng, Zi Xuan | en_US |
dc.contributor.author | Tan, Davin | en_US |
dc.contributor.author | Teo, Wei Liang | en_US |
dc.contributor.author | León, Felix | en_US |
dc.contributor.author | Shi, Xiaoyan | en_US |
dc.contributor.author | Sim, Ying | en_US |
dc.contributor.author | Li, Yongxin | en_US |
dc.contributor.author | Ganguly, Rakesh | en_US |
dc.contributor.author | Zhao, Yanli | en_US |
dc.contributor.author | Mohamed, Sharmarke | en_US |
dc.contributor.author | García, Felipe | en_US |
dc.date.accessioned | 2022-11-11T06:12:05Z | - |
dc.date.available | 2022-11-11T06:12:05Z | - |
dc.date.issued | 2021 | - |
dc.identifier.citation | 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. https://dx.doi.org/10.1002/anie.202101248 | en_US |
dc.identifier.issn | 1433-7851 | en_US |
dc.identifier.uri | https://hdl.handle.net/10356/162878 | - |
dc.description.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. | en_US |
dc.description.sponsorship | Agency for Science, Technology and Research (A*STAR) | en_US |
dc.description.sponsorship | Nanyang Technological University | en_US |
dc.language.iso | en | en_US |
dc.relation | A1783c0003 | en_US |
dc.relation | A2083c0050 | en_US |
dc.relation | M4080552 | en_US |
dc.relation.ispartof | Angewandte Chemie International Edition | en_US |
dc.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. | en_US |
dc.subject | Science::Chemistry | en_US |
dc.title | Mechanosynthesis of higher-order cocrystals: tuning order, functionality and size in cocrystal design | en_US |
dc.type | Journal Article | en |
dc.contributor.school | School of Physical and Mathematical Sciences | en_US |
dc.identifier.doi | 10.1002/anie.202101248 | - |
dc.description.version | Published version | en_US |
dc.identifier.pmid | 33982390 | - |
dc.identifier.scopus | 2-s2.0-85109038055 | - |
dc.identifier.issue | 32 | en_US |
dc.identifier.volume | 60 | en_US |
dc.identifier.spage | 17481 | en_US |
dc.identifier.epage | 17490 | en_US |
dc.subject.keywords | Density Functional Theory | en_US |
dc.subject.keywords | Phosphazanes | en_US |
dc.description.acknowledgement | F.G. thanks A*STAR AME IRG (A1783c0003 and A2083c0050) and a NTU SUG (M4080552) for financial support. S.M. acknowledges Khalifa University for financial support under the CIRA program (Project Code: CIRA2018-068). The theoretical calculations were performed using the high-performance computing clusters of Khalifa University and the authors would like to acknowledge the support of the research computing department. | en_US |
item.fulltext | With Fulltext | - |
item.grantfulltext | open | - |
Appears in Collections: | SPMS Journal Articles |
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Angew Chem Int Ed - 2021 - Ng - Mechanosynthesis of Higher‐Order Cocrystals Tuning Order Functionality and Size in.pdf | 1.86 MB | Adobe PDF | View/Open |
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