An experimental charge density study of the effect of the noncentric crystal field on the molecular properties of organic NLO materials.


The structure, packing, and charge distribution in molecules of nonlinear optical materials have been analysed with reference to their counterparts in centrosymmetric structures based on low temperature X-ray measurements. The systems studied are the centric and noncentric polymorphs of 5-nitrouracil as well as the diamino, dithio, and thioamino derivatives… (More)
DOI: 10.1002/1439-7641(20001103)1:3<127::AID-CPHC127>3.0.CO;2-1


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