Synthesis and optical properties of new 2-oxo-4-vinyl-2H-chromene-3-carbonitrile dyes

Abstract

New derivatives of 2-oxo-4-vinyl-2H-chromene-3-carbonitrile have been synthesized by the Knoevenagel reaction of 4-methyl-2-oxo-2H-chromene-3-carbonitrile with aromatic and heteroaromatic aldehydes. The first hyperpolarizability β for the obtained compounds was calculated using M05-2X functional and 6-31+G(d) basis set; their optical properties and solvatochromism in solvents of various polarity were examined. The crystal structure for one representative of the synthesized compounds was determined by XRD.