title: Synthesis and Characterization of Quinuclidinium Derivatives of the [closo-1-CB11H12](-) Anion as Potential Polar Components of Liquid Crystal Materials.
abstract: Antipodal substitution of the [closo-1-CB11H12](-) anion with a 4-pentylquinuclidinium fragment and alkyl groups in positions C(1) and B(12) gave polar zwitterions 1[n] and 2[n]. The molecular structure of 1[5] was established using X-ray diffraction (XRD) methods: P1̅, a = 15.162(2) Å, b = 16.546(3) Å, c = 19.794(3) Å; α = 84.871(2)°, β = 84.057(2)°, γ = 84.058(3)°; Z = 8. All compounds exhibit high temperature in-plane ordered smectic phases that are stabilized by dipolar interactions. The ordered phases were investigated by powder XRD methods. Thermal and dielectric parameters for two derivatives, 1[0] and 1[6], were evaluated in nematic hosts, ClEster and BPhF. The dielectric data were analyzed with the Maier-Meier formalism augmented with density functional theory methods, and the results were compared to those for similar zwitterions previously reported.
authors.affiliation: Organic Materials Research Group, Department of Chemistry, Middle Tennessee State University , Murfreesboro, Tennessee 37132, United States.
authors.forename: Jacek
authors.initials: J
authors.lastname: Pecyna
authors.affiliation: Organic Materials Research Group, Department of Chemistry, Middle Tennessee State University , Murfreesboro, Tennessee 37132, United States.|Center of Molecular and Macromolecular Studies, Polish Academy of Sciences , Sienkiewicza 112, 90363 Łódź, Poland.|Faculty of Chemistry, University of Łódź , Tamka 12, 91403 Łódź, Poland.
authors.forename: Piotr
authors.initials: P
authors.lastname: Kaszyński
authors.forename: Bryan
authors.initials: B
authors.lastname: Ringstrand
authors.affiliation: Department of Chemistry, University of Warsaw , Zwirki i Wigury 101, 02089 Warsaw, Poland.
authors.forename: Damian
authors.initials: D
authors.lastname: Pociecha
authors.forename: Serhii
authors.initials: S
authors.lastname: Pakhomov
authors.affiliation: Organic Materials Research Group, Department of Chemistry, Middle Tennessee State University , Murfreesboro, Tennessee 37132, United States.
authors.forename: Andrew G
authors.initials: AG
authors.lastname: Douglass
authors.affiliation: X-ray Crystallographic Laboratory, Department of Chemistry, University of Minnesota , Twin Cities, Minnesota 55455, United States.
authors.forename: Victor G
authors.initials: VG
authors.lastname: Young