Abstract
The title compound (4) was synthesized, and its crystalline structure was determined. The molecule has C3v point symmetry and crystallizes in the trigonal space group R3m. Crystal data for 4: a = 16.6710(13) A, b = 16.6710(13) A, c = 4.2590(3) A, α = β = 90°, γ = 120°, Z = 3, R(F) = 0.0234. The material has a permanent polarization and consequent pyroelectric properties. The room temperature pyroelectric coefficient was found to be −3 ± 2 μC m-2 K-1, which is in accordance with a calculated value of −3.2 μC m-2 K-1. The molecular dipole moment was determined to be 3.3 ± 0.2 D, the direction of which was unambiguously assigned with respect to the molecular coordinates. The thermal expansivity was determined at temperatures in the range −93 to 200 °C. The relative dielectric permittivity tensor was obtained at optical frequencies (e11 and e22 = 3.16 and e33 = 2.48) and in the microwave region at 35 GHz (e11 and e22 = 5.2 ± 0.6 and e33 = 2.9 ± 0.2), and at low frequencies (120 Hz and 1 kHz), the isotropic p...
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