Pyroelectricity of Benzene Derivates. II. Metanitrochlorobenzene, Paranitrobenzonitrile, and Parabromobenzonitrile
Open Access
- 1 June 1987
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 42 (6) , 645-654
- https://doi.org/10.1515/zna-1987-0622
Abstract
The pyroelectric properties of the benzene derivatives, 1-Cl-3-NO2-C6H4, 1-CN-4-NO2-C6H4, and 1-CN-4-Br-C6H4, were investigated in the temperature range 100 ≦ T/K ≦ decomposition temperature. Dielectric measurements of single crystals of these compounds were performed. By use of a semiempirical quantum chemical model, including a point charge model of the solid matrix, the charge distributions in the molecules are calculated. With the therefrom resulting dipole moment and properties of a polar dielectric the change of the pyroelectric coefficient p with temperature is calculated. The experiments and calculations are discussed in connection with the known crystal structures of the substances.Keywords
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