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Updated: Oct 11, 2025
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Effect of conjugated system extension on structural features and electron-density distribution in charge-transfer
Borys Ośmiałowski1, Błażej Dziuk2, Krzysztof Ejsmont3
1Faculty of Chemistry, Nicolaus Copernicus University in Toruń, Gagarina 7, Toruń 87-100, Poland.
Abstract:
A comparative structural study of two related donor-acceptor pyridine-based BF2 complexes, namely, 3-(dimethylamino)-1,1-difluoro-1H-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium-1-uide, C8H10BF2N3O (1), and 3-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-1,1-difluoro-1H-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium-1-uide, C18H18BF2N3O (2), containing a dimethylamino group and either the shortest (in 1) or the longest (in 2) charge-transfer path known until now in this family of compounds, is presented. Single-crystal X-ray diffraction analysis supported by computational investigations shed more light on these systems, indicating, among other aspects, the predominance of C-H...F contacts in 1, the formation of antiparallel dimers held together by π-π interactions in both compounds, and the involvement of fused BF2-bearing rings in the charge-transfer process.
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