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Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton

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dc.abstract.enA series of solvatomorphic structures of tetrakisIJ4-dihydroxyborylphenyl)adamantane, 1, have been prepared and analyzed by single crystal X-ray diffraction methods. Tetraboronated adamantane represents a valuable scaffold for the formation of various supramolecular structures in the solid state. Through threecomponent crystallizations of 1 in methanol in the presence of a secondary ingredient (acetone, DMSO, DMF, 1,4-dioxane, urea), seven crystal structures were obtained. In turn, crystallization from a methanol– acetonitrile mixture produced large transparent needles, but the material proved amorphous and solely composed of 1 underlying the pivotal role of solvent molecules in the stabilization of the crystal structure. Six out of the seven obtained structures crystallize in tetragonal space groups of symmetry in accordance with the general molecular symmetry of 1. The most common crystal motif constitutes H-bonded tetramers, where interactions between boronic groups are mediated by solvent molecules. Alternatively, linear discrete H-bonded motifs composed of four molecules of 1 and four molecules of DMF were also observed. According to expectation, the inclusion of 1,4-dioxane favors the formation of 1D linear chains, although the overall H-bonding pattern is quite complex due to the presence of water molecules. Surprisingly, the crystallization of 1 in wet methanol solution resulted in the formation of hemi-ester species containing four B(OMe)(OH) groups and incorporating a water molecule. The same process was observed when crystallization was performed in a methanol–urea mixture. The role of the solvent molecules is additionally discussed in the context of performed DFT calculations. The thermogravimetric analysis shows that solvent evaporation is accompanied by the dehydration of boronic groups presumably leading to the formation of a covalently bonded polymeric material, whose stability is predefined by the initial structure of 1.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorKlimkowski, Piotr
dc.contributor.authorLuliński, Sergiusz
dc.contributor.authorUrbanowicz, Karolina A.
dc.contributor.authorDurka, Krzysztof
dc.contributor.authorMarek-Urban, Paulina H.
dc.contributor.authorGontarczyk, Krzysztof
dc.contributor.authorDrapała, Jakub
dc.contributor.authorWoźniak, Krzysztof
dc.date.accessioned2024-01-24T21:35:43Z
dc.date.available2024-01-24T21:35:43Z
dc.date.issued2021
dc.description.financePublikacja bezkosztowa
dc.description.number46
dc.description.volume23
dc.identifier.doi10.1039/D1CE01297E
dc.identifier.issn1466-8033
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/104609
dc.identifier.weblinkhttp://pubs.rsc.org/en/content/articlepdf/2021/CE/D1CE01297E
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofCrystEngComm
dc.relation.pages8169-8182
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleDesign of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton
dc.typeJournalArticle
dspace.entity.typePublication