Choudhary Amol S, Patil Sharad R, Sekar Nagaiyan
Tinctorial Chemistry Group, Department of dyestuff and intermediate Technology, Institute of Chemical Technology, Mumbai, Nathalal Parekh Marg, Matunga, Mumbai, 400 019, India.
J Fluoresc. 2015 Jul;25(4):1095-102. doi: 10.1007/s10895-015-1597-y. Epub 2015 Jul 3.
The novel benzofused phenazine π-conjugated skeleton with a coumarin and isophoron core was synthesized, characterized, and condensed with suitably substituted active methylene compounds by classical Knoevenagel condensation reaction to obtain novel mono-styryl dyes 6a-6d. These novel styryl dyes have hue varying from yellow to violet. The geometries of the styryl dyes were optimized at B3LYP/6-31G (d) level of theory, and their electronic excitation properties were evaluated using density functional theory.
合成并表征了具有香豆素和异佛尔酮核心的新型苯并稠合吩嗪π共轭骨架，并通过经典的克诺文纳格尔缩合反应将其与适当取代的活性亚甲基化合物缩合，以获得新型单苯乙烯基染料6a - 6d。这些新型苯乙烯基染料的色调从黄色到紫色不等。在B3LYP/6 - 31G(d)理论水平上优化了苯乙烯基染料的几何结构，并使用密度泛函理论评估了它们的电子激发性质。
