Cruciform Fluorophores

在有机和大分子化学项目的支持下，Uwe Bunz教授提出了一种新型的十字形发色团（XF，十字形，1，4-双（芳基乙炔基）-2，5-二苯乙烯基苯），其中前线分子轨道位于两个不同的轴上。 最高占据分子轨道（HOMO）位于二苯乙烯基苯轴上，而最低占据分子轨道（LUMO）位于双（芳基乙炔基）横截面上。这种轨道排列将电子性质转化为空间模式; XF将包含在二苯乙烯基苯轴上的金属配位给电子取代基和在双（芳基乙炔基）横向上的金属配位受体，从而实现对不同金属阳离子的两阶段感测。 添加两种分析物并产生荧光变化将用于构建逻辑表。分析物是输入，荧光改变输出。 他们计划存款的XFs与金属盐和不含固体支持，以获得传感器阵列的挥发性有机化合物。 不同荧光团的组合和使用与不同金属络合的相同荧光团将导致当暴露于分析物（例如挥发性胺）时由于可逆的解络合/质子化或去质子化而导致发射性质的变化。更广泛的影响：这种化学反应将可能允许使用浸渍有不同XF型荧光团的简单测试条来检测水中的有毒金属离子和大气中的有毒挥发性胺。 该研究将开发一种基于XFs识别不同分析物的分子逻辑，用于分子计算。 教育影响：PI有一个积极的外展计划与内城高中（三城高中）。他已经并将有高中学生在他的实验室工作的模型分析物的传感使用的XFs和/或XFs固定在固体支持物，如高度硅烷化的硅胶溶液，以吸引聪明的学生进入化学。

With the support of the Organic and Macromolecular Chemistry Program, Professor Uwe Bunz has proposed a new type of cross-shaped chromophore (XF, cruciform, 1,4-bis(aryl-ethynyl)-2,5-distyrylbenzenes) in which the frontier molecular orbitals are localized on the two different axes. The Highest Occupied Molecular Orbital (HOMO) is localized on the distyrylbenzene axis, while the Lowest Unoccupied Molecular Orbital (LUMO) is localized on the bis(arylethynyl) transverse. This orbital arrangement translates electronic properties into spatial patterns; the XFs will contain metal coordinating electron-donating substituents on the distyrylbenzene axis and metal coordinating acceptors on the bis(arylethynyl) transverse achieving two-stage sensing of different metal cations. The addition of two analytes with the resulting fluorescence changes will be used to construct a Logic Table. The analytes are the input and the fluorescence change the output. They plan to deposit the XFs with and without metal salts onto solid supports to obtain sensor arrays for volatile organic compounds. The combination of different fluorophores and the use of the same fluorophore complexed with different metals will lead to changes in emissive properties when exposed to analytes such as volatile amines due to reversible decomplexation/protonation or deprotonation. Broader Impact: This chemistry will potentially allow detecting toxic metal ions in water and toxic volatile amines in the atmosphere using simple test strips impregnated with different XF-type fluorophores. The research will develop a molecular logic based upon recognition of different analytes with XFs for molecular computing. Educational Impact: The PI has an active outreach program with an inner city high school (Tri-Cities High). He has had and will have high school students in his laboratory working on the sensing of model analytes using either solutions of XFs and/or XFs immobilized on solid supports such as highly silanized silica gel to attract bright students into chemistry.