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Tunable Intermolecular Charge Transfer in Ionic Liquid Crystalline Derivatives of the [closo-B10H10]2-Anion

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dc.abstract.enA new paradigm of ionic liquid crystals exhibiting low-energy charge transfer bands is demonstrated. Thus, four series of ion pairs of 1,10-disubstituted derivatives of the [closo-B10H10](2-) anion and substituted pyridinium cations were prepared and their thermal and photophysical properties were investigated. All pyridinium ion pairs form a smectic A (SmA) phase with clearing temperatures above 200 ? and intermolecular charge transfer (CT) band in the solid and fluid states and in CH2Cl2 solutions. The CT band maximum is in the range of 320-510 nm and its position correlates with the difference in frontier molecular orbital (FMO) energies of the ions (highest occupied molecular orbital (HOMO) of the anions and the lowest unoccupied molecular orbital (LUMO) of the cations), which, in turn, correlate well with the substituent sigma(p) parameters. Experimental results are augmented with extensive density functional theory (DFT) calculations and X -ray diffraction (XRD) analyses.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorPietrzak, Anna
dc.contributor.authorKoyioni, Maria
dc.contributor.authorJacob, Litwin
dc.contributor.authorRzeszotarska, Edyta
dc.contributor.authorJakubowski, Rafał
dc.contributor.authorKaszyński, Piotr
dc.contributor.authorPociecha, Damian
dc.date.accessioned2024-01-26T11:07:37Z
dc.date.available2024-01-26T11:07:37Z
dc.date.copyright2022-07-12
dc.date.issued2022
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number14
dc.description.versionFINAL_PUBLISHED
dc.description.volume34
dc.identifier.doi10.1021/ACS.CHEMMATER.2C01165
dc.identifier.issn0897-4756
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/123878
dc.identifier.weblinkhttps://pubs.acs.org/doi/pdf/10.1021/acs.chemmater.2c01165
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofChemistry of Materials
dc.relation.pages6476-6491
dc.rightsCC-BY
dc.sciencecloudnosend
dc.titleTunable Intermolecular Charge Transfer in Ionic Liquid Crystalline Derivatives of the [closo-B10H10]2-Anion
dc.typeJournalArticle
dspace.entity.typePublication