Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/162878
Full metadata record
DC FieldValueLanguage
dc.contributor.authorNg, Zi Xuanen_US
dc.contributor.authorTan, Davinen_US
dc.contributor.authorTeo, Wei Liangen_US
dc.contributor.authorLeón, Felixen_US
dc.contributor.authorShi, Xiaoyanen_US
dc.contributor.authorSim, Yingen_US
dc.contributor.authorLi, Yongxinen_US
dc.contributor.authorGanguly, Rakeshen_US
dc.contributor.authorZhao, Yanlien_US
dc.contributor.authorMohamed, Sharmarkeen_US
dc.contributor.authorGarcía, Felipeen_US
dc.date.accessioned2022-11-11T06:12:05Z-
dc.date.available2022-11-11T06:12:05Z-
dc.date.issued2021-
dc.identifier.citationNg, 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.202101248en_US
dc.identifier.issn1433-7851en_US
dc.identifier.urihttps://hdl.handle.net/10356/162878-
dc.description.abstractThe 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.sponsorshipAgency for Science, Technology and Research (A*STAR)en_US
dc.description.sponsorshipNanyang Technological Universityen_US
dc.language.isoenen_US
dc.relationA1783c0003en_US
dc.relationA2083c0050en_US
dc.relationM4080552en_US
dc.relation.ispartofAngewandte Chemie International Editionen_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.subjectScience::Chemistryen_US
dc.titleMechanosynthesis of higher-order cocrystals: tuning order, functionality and size in cocrystal designen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Physical and Mathematical Sciencesen_US
dc.identifier.doi10.1002/anie.202101248-
dc.description.versionPublished versionen_US
dc.identifier.pmid33982390-
dc.identifier.scopus2-s2.0-85109038055-
dc.identifier.issue32en_US
dc.identifier.volume60en_US
dc.identifier.spage17481en_US
dc.identifier.epage17490en_US
dc.subject.keywordsDensity Functional Theoryen_US
dc.subject.keywordsPhosphazanesen_US
dc.description.acknowledgementF.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.fulltextWith Fulltext-
item.grantfulltextopen-
Appears in Collections:SPMS Journal Articles

SCOPUSTM   
Citations 20

19
Updated on Mar 25, 2024

Web of ScienceTM
Citations 20

18
Updated on Oct 26, 2023

Page view(s)

80
Updated on Mar 28, 2024

Download(s) 50

33
Updated on Mar 28, 2024

Google ScholarTM

Check

Altmetric


Plumx

Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.