喹啉
芘
化学
环加成
炔烃
组合化学
密度泛函理论
荧光
分子
光化学
三唑
计算化学
有机化学
催化作用
量子力学
物理
作者
Ayşegül Gümüş,Selçuk Gümüş
标识
DOI:10.1002/slct.202203958
摘要
Abstract Synthesis of novel fluorescent quinoline‐pyrene conjugates is described. The key intermediates 2‐substituted 8‐propynyloxy quinoline and azidomethyl pyrene were connected with triazole bridge by 1,3‐dipolar alkyne‐azide cycloaddition reaction. Density functional theory methodology with B3LYP/6‐311++G(d,p) basis set was applied computationally to gather information about the structural and electronic properties of the quinoline‐pyrene compounds. In addition, the metal coordination properties of the triazole bridged molecules were investigated through interactions with several cations. The effect of metal coordination on the stability of the complexes have also been discussed through computations on chelatoaromaticity.
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