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Disappearing Polymorphs in Metal–Organic Framework Chemistry: Unexpected Stabilization of a Layered Polymorph over an Interpenetrated Three-Dimensional Structure in Mercury Imidazolate

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dc.abstract.enThe “disappearing polymorph” phenomenon is well established in organic solids, and has had a profound effect in pharmaceutical materials science. The first example of this effect in metal-containing systems in general, and in coordination-network solids in particular, is here reported. Specifically, attempts to mechanochemically synthesize a known interpenetrated diamondoid (dia) mercury(II) imidazolate metal–organic framework (MOF) yielded a novel, more stable polymorph based on square-grid (sql) layers. Simultaneously, the dia-form was found to be highly elusive, observed only as a short-lived intermediate in monitoring solvent-free synthesis and not at all from lution. The destabilization of a dense dia-framework relative to a lower dimensionality one is in contrast to the behavior of other imidazolate MOFs, with periodic density functional theory (DFT) calculations showing that it arises from weak interactions, including tructure-stabilizing agostic CH···Hg contacts. While providing a new link between MOFs and crystal engineering of organic solids, these findings highlight a possible role for agostic interactions in directing topology and stability of MOF polymorphs.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorFriščić, Tomislav
dc.contributor.authorArhangelskis, Mihails
dc.contributor.authorTiti, Hatem M. T
dc.contributor.authorHanusa, Timothy P.
dc.contributor.authorSpeight, Isaiah R.
dc.contributor.authorStein, Robin S.
dc.contributor.authorHuskic´, Igor
dc.date.accessioned2024-01-24T21:54:24Z
dc.date.available2024-01-24T21:54:24Z
dc.date.issued2020
dc.description.financePublikacja bezkosztowa
dc.description.number8
dc.description.volume26
dc.identifier.doi10.1002/CHEM.201905280
dc.identifier.issn0947-6539
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/104959
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofChemistry - A European Journal
dc.relation.pages1811-1818
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleDisappearing Polymorphs in Metal–Organic Framework Chemistry: Unexpected Stabilization of a Layered Polymorph over an Interpenetrated Three-Dimensional Structure in Mercury Imidazolate
dc.typeJournalArticle
dspace.entity.typePublication