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New chromophores based on 2-(4-vinylchromen-2-ylidene)malononitrile and 2-(2-vinylchromen-4-ylidene)malononitrile
Russian Chemical Bulletin ( IF 1.7 ) Pub Date : 2019-10-01 , DOI: 10.1007/s11172-019-2641-x
K. S. Levchenko , K. A. Chudov , D. Yu. Demin , G. E. Adamov , E. V. Zinoviev , K. A. Lyssenko , A. V. Shokurov , P. S. Shmelin , E. P. Grebennikov

New derivatives of 2-(4-vinylchromen-2-ylidene)malononitrile and 2-(2-vinylchromen-4-ylidene)malononitrile were synthesized using the Knoevenagel reaction of 2-(4-methyl-chromen-2-ylidene)malononitrile and 2-(2-methylchromen-4-ylidene)malononitrile, respectively, with the participation of [1-(2-n-butoxyethyl)-2,2,4,7-tetramethyl-1,2,3,4-tetrahydroquinolin-6-yl)]-carbaldehyde. First hyperpolarizability (β) was calculated for the obtained compounds using the M05-2X functional and 6-31+G (d) basis. Optical properties and solvatochromism in solvents of different polarity (toluene, 1,4-dioxane, chlorobenzene, dichloromethane, DMF, and ethanol) were also investigated.

中文翻译:

基于 2-(4-vinylchromen-2-ylidene) 丙二腈和 2-(2-vinylchromen-4-ylidene)丙二腈的新发色团

使用 2-(4-甲基-色烯-2-亚基)丙二腈的 Knoevenagel 反应合成了 2-(4-vinylchromen-2-ylidene)丙二腈和 2-(2-vinylchromen-4-ylidene)丙二腈的新衍生物和2-(2-methylchromen-4-ylidene)丙二腈,分别与[1-(2-n-丁氧基乙基)-2,2,4,7-四甲基-1,2,3,4-四氢喹啉- 6-基)]-甲醛。使用 M05-2X 功能和 6-31+G (d) 基础计算获得的化合物的第一超极化率 (β)。还研究了不同极性溶剂(甲苯、1,4-二恶烷、氯苯、二氯甲烷、DMF 和乙醇)中的光学性质和溶剂化变色。
更新日期:2019-10-01
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