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.
Citation:
K. S. Levchenko, K. A. Chudov, E. V. Zinoviev, K. A. Lyssenko, A. N. Fakhrutdinov, D. Yu. Demin, N. O. Poroshin, A. A. Zhukova, P. S. Shmelin, E. P. Grebennikov, “Synthesis and optical properties of new 2-oxo-4-vinyl-2H-chromene-3-carbonitrile dyes”, Mendeleev Commun., 29:3 (2019), 301–303
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https://www.mathnet.ru/eng/mendc1503
https://www.mathnet.ru/eng/mendc/v29/i3/p301
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