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Challenging the Ostwald rule of stages in mechanochemical cocrystallisation

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cris.lastimport.scopus2024-02-12T20:46:56Z
dc.abstract.enMechanochemistry provides an efficient, but still poorly understood route to ynthesize and screen for polymorphs of organic solids. We present a hitherto unexplored effect of the milling assembly on the polymorphic outcome of mechanochemical ystallisation, tentatively related to the efficiency of mechanical energy transfer to the milled ample. Previous work on mechanochemical cocrystallisation has established that introducing liquid or polymer additives to milling systems can be used to direct polymorphic ehavior, leading to extensive studies how the amount and nature of grinding additive affect reaction outcome and polymorphism. Here, focusing on a model harmaceutical cocrystal of nicotinamide and adipic acid, we demonstrate that changes to the choice of milling media (i.e. number and material of milling balls) and/or the choice of milling assembly (i.e. jar material) can be used to direct polymorphism of mechanochemical cocrystallisation, enabling the selective synthesis, and even reversible and repeatable interconversion of cocrystal polymorphs. While real-time mechanistic studies of mechanochemical transformations of metal–organic materials have previously uggested that reactions follow a path described by stwald's rule of stages, i.e. from metastable to increasingly more stable product structures, the herein presented systematic study presents an exception to that rule, revealing that modification of energy input in the mechanochemical system, combined with a small energy difference between polymorphs, permits the selective synthesis of either the more stable room temperature form, or the new metastable high-temperature form, of the target cocrystal.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorDinnebier, Robert E.
dc.contributor.authorFriščić, Tomislav
dc.contributor.authorGermann, Luzia S.
dc.contributor.authorEtter, Martin
dc.contributor.authorArhangelskis, Mihails
dc.date.accessioned2024-01-24T19:05:41Z
dc.date.available2024-01-24T19:05:41Z
dc.date.copyright2020-08-12
dc.date.issued2020
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number37
dc.description.versionFINAL_PUBLISHED
dc.description.volume11
dc.identifier.doi10.1039/D0SC03629C
dc.identifier.issn2041-6520
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/102849
dc.identifier.weblinkhttp://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC03629C
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofChemical Science
dc.relation.pages10092-10100
dc.rightsCC-BY-NC
dc.sciencecloudnosend
dc.titleChallenging the Ostwald rule of stages in mechanochemical cocrystallisation
dc.typeJournalArticle
dspace.entity.typePublication