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Calculation of the refractive indices of molecular crystals
Author(s) -
De Jong S.,
Groeneweg F.,
Van Voorst Vader F.
Publication year - 1991
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889890012468
Subject(s) - refractive index , anisotropy , optical anisotropy , optics , symmetry (geometry) , diffraction , materials science , covalent bond , molecular physics , chemistry , condensed matter physics , physics , mathematics , geometry , organic chemistry
The anisotropic optical properties of molecular crystals of general symmetry, which are characterized by three different refractive indices and corresponding optical axes, have been calculated by tensorial addition of the bond polarizabilities of all covalent bonds knowing the structure from X‐ray diffraction analysis. As an example, refractive indices are given for β ‐phase fat crystals, viz glyceroltristearate and ‐tripalmitate, which are very hard to grow. Some of these refractive indices have been measured directly using the immersion method. Furthermore, average refractive indices of such crystals have been calculated by means of the Lorenz–Lorentz equation from the liquid data. As far as comparisons are possible, the theoretical values agree with experiments.