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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Structure-Photochemical Function Relationships in Nitrogen-Containing Heterocyclic Aromatic Photobases Derived from Quinoline
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Structure-Photochemical Function Relationships in Nitrogen-Containing Heterocyclic Aromatic Photobases Derived from Quinoline

机译:喹啉衍生氮杂环芳族光碱基中的结构 - 光化学功能关系

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摘要

Photobases are compounds that become strong bases after electronic excitation. Recent experimental studies have highlighted the photobasicity of the 5-R quinoline compounds, demonstrating a strong substituent dependence to the pK(a)*. In this paper, we describe our systematic study of how the thermodynamic driving force for photobasicity is tuned through substituents in four families of nitrogen-containing heterocyclic aromatics. We show that substituent position and identity both significantly impact the pK(a)*. We demonstrate that the substituent effects are additive and identify many disubstituted compounds with substantially greater photobasicity than the most photobasic 5-R quinoline compound identified previously. We show that the addition of a second fused benzene ring to quinoline, along with two electron-donating substituents, lowers the S-0 -> S-PBS vertical excitation energy into the visible region while still maintaining a pK(a)* > 14. Overall, the structure-function relationships developed in this study provide new insights to guide the development of new photocatalysts that employ photobasicity.
机译:光伏是电子激发后变强碱基的化合物。最近的实验研究突出了5-R喹啉化合物的粘着性,证明了对PK(A)*的强取代基依赖性。在本文中,我们描述了我们对含氮含氮杂环芳烃的四个家族中的取代基来调谐光粘性的热力学驱动力的系统研究。我们表明取代基位和身份都会显着影响PK(a)*。我们证明取代基效应是添加剂,并且鉴定许多二取代化合物,其具有比先前鉴定的最透光纤的5-R喹啉化合物的基本更大的粘性性。我们表明,将第二熔融苯环加入喹啉,以及两个电子捐赠的取代基,将S-0 - > S-PBS垂直激发能量降低到可见区域,同时仍然保持PK(A)*> 14 。总体而言,本研究中开发的结构功能关系为指导采用粘性性的新光催化剂的开发提供了新的见解。

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