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Flexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending

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dc.abstract.enAs an emerging class of flexible materials, mechanically bendable molecular crystals are broadly classified as elastic or plastic. Nevertheless, flexible organic crystals with mutually exclusive elastic and plastic traits, with contrasting structural requirements, co-existing under different stress settings are exceptional; hence, it is imperative to establish the concurring factors that beget this rare occurrence. We report a series of halogen-substituted benzil crystals showing elastic bending (within ∼2.45% strain), followed by elastoplastic deformation under ambient conditions. Under higher stress settings, they display exceptional plastic flexibility that one could bend, twist, or even coil around a capillary tube. X-ray diffraction, microscopy, and computational data reveal the microscopic and macroscopic basis for the exciting co-existence of elastic, elastoplastic, and plastic properties in the crystals. The layered molecular arrangement and the weak dispersive interactions sustaining the interlayer region provide considerable tolerance towards breaking and making upon engaging or releasing the external stress; it enables restoring the original state within the elastic strain. Comparative studies with oxalate compounds, wherein the twisted diketo moiety in benzil was replaced with a rigid and coplanar central oxalate moiety, enabled us to understand the effect of the anisotropy factor on the crystal packing induced by the C[double bond, length as m-dash]O⋯C tetral interactions. The enhanced anisotropy depreciated the elastic domain, making the oxalate crystals more prone to plastic deformation. Three-point bending experiments and the determined Young's moduli further corroborate the co-existence of the elastic and plastic realm and highlight the critical role of the underlying structural elements that determine the elastic to plastic transformation. The work highlights the possible co-existence of orthogonal mechanical characteristics in molecular crystals and further construed the concurrent role of microscopic and macroscopic elements in attaining this exceptional mechanical trait.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorVarughese, Sunil
dc.contributor.authorWoźniak, Krzysztof
dc.contributor.authorKoshima, Hideko
dc.contributor.authorSasaki, Toshiyuki
dc.contributor.authorHasebe, Shodai
dc.contributor.authorKandasamy, Saravanan
dc.contributor.authorDivya, Indira S.
dc.date.accessioned2024-01-25T01:13:36Z
dc.date.available2024-01-25T01:13:36Z
dc.date.copyright2022-07-05
dc.date.issued2022
dc.description.accesstimeAT_PUBLICATION
dc.description.financeNie dotyczy
dc.description.number31
dc.description.versionFINAL_PUBLISHED
dc.description.volume13
dc.identifier.doi10.1039/D2SC02969C
dc.identifier.issn2041-6520
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/107271
dc.identifier.weblinkhttp://pubs.rsc.org/en/content/articlepdf/2022/SC/D2SC02969C
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofChemical Science
dc.relation.pages8989-9003
dc.rightsCC-BY-NC
dc.sciencecloudnosend
dc.titleFlexible organic crystals. Understanding the tractable co-existence of elastic and plastic bending
dc.typeJournalArticle
dspace.entity.typePublication