The effects of annelation on the absorption spectra of polyazo dyes are discussed on the basis of the PPP MO method. Large bathochromic shifts (15–80 nm) of Λmax were observed if the 1, 4‐phenylene ring in the conjugating bridge of polyazo dyes was replaced with a 1, 4‐naphthylene ring (annelation). The annelation effect on Λmax was increased as the strength of acceptor group increased in disazo dyes with an intramolecular charge‐transfer chromophore. The additive properties of Λmax were observed in a number of annelated trisazo dyes, which were confirmed by the PPP MO method. Steric effects were observed in trisazo dyes derived from N‐alkylnaphthylamine. The solubility of dichroic polyazo dyes in liquid crystals was generally improved, but their dichroic properties were only slightly affected by annelation.7
5-Nitrofuran-2-aldoxime (1b) exhibits crystallographic polymorphism. The isolated two crystals show SHG efficiency of 12 and 3 times that of urea. 5-Nitrothiophene-2-aldoxime (2b) shows weak SHG response because of the hyper valent interactions of O–S–O atoms. Two crystals of 1b and 2b belong to P212121 space group.
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