Maroofi Victoria, Pordel Mehdi, Chegini Hamed, Ramezani Shirin
Department of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, Iran.
J Fluoresc. 2015 Sep;25(5):1235-43. doi: 10.1007/s10895-015-1611-4. Epub 2015 Jul 16.
The new 3H-imidazo[4,5-a]acridine-11-carbonitriles were prepared from the reaction of 1-alkyl-5-nitro-1H-benzoimidazoles with 2-(4-methoxyphenyl)acetonitrile and benzyl cyanide by nucleophilic substitution of hydrogen in high yields. Physical spectral and analytical data have confirmed the structures of the synthesized dyes. The optical and solvatochromic properties of these compounds were investigated and the results showed that they show very interesting photophysical properties. Density functional theory (DFT) calculations of fluorescent dyes were performed to provide the optimized geometries and relevant frontier orbitals. Furthermore, intra- and intermolecular interactions in fluorescent imidazo[4,5-a]acridines were evaluated by AIM (Atoms in Molecules) analysis.
新型3H-咪唑并[4,5-a]吖啶-11-腈是由1-烷基-5-硝基-1H-苯并咪唑与2-(4-甲氧基苯基)乙腈和苄基氰通过氢的亲核取代反应高产率制备而成。物理光谱和分析数据证实了合成染料的结构。对这些化合物的光学和溶剂化显色性质进行了研究，结果表明它们表现出非常有趣的光物理性质。对荧光染料进行了密度泛函理论(DFT)计算，以提供优化的几何结构和相关的前沿轨道。此外，通过分子中的原子(AIM)分析评估了荧光咪唑并[4,5-a]吖啶中的分子内和分子间相互作用。
