Vishwakarma Siddharth, Kumar Ajit, Pandey Abha, Upadhyay K K
Department of Chemistry (Centre of Advanced Study), Institute of Science, Banaras Hindu University, Varanasi, Uttar Pradesh 221005, India.
Department of Applied Sciences & Humanities, National Institute of Foundry & Forge Technology, Ranchi 834003, Jharkhand, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2017 Jan 5;170:191-7. doi: 10.1016/j.saa.2016.07.021. Epub 2016 Jul 12.
A chromogenic fluoride probe bearing bis imine groups having dual -NH functionality (BSB) has been designed, synthesised and structurally characterized by its single crystal X-ray diffraction studies. The BSB could visually and spectroscopically recognise F(-) with high selectivity over other anions by exhibiting intense chromogenic response (from colourless to red) for F(-) in acetonitrile solution. The UV-visible titration and (1)H NMR titration experiments indicated that the observed changes occur via a combined process including hydrogen bonding and deprotonation between the BSB and F(-). Moreover theoretical calculations at the Density Functional Theory (DFT) level shed further light upon probe design strategy and the nature of interactions between BSB and F(-). The limit of detection and binding constant of BSB towards F(-) were found to be 6.9×10(-7)M and 1.42±0.069×10(8)M(-2) respectively. Finally, by using F(-)and H(+) as chemical inputs and the absorbance as output, a INHIBIT logic gate was constructed, which exhibits "Multi-write" ability without obvious degradation in its optical output.
设计并合成了一种带有双亚胺基团且具有双 -NH 官能团的显色氟化物探针（BSB），并通过单晶 X 射线衍射研究对其进行了结构表征。在乙腈溶液中，BSB 对 F⁻表现出强烈的显色响应（从无色变为红色），从而能够在视觉和光谱上以高于其他阴离子的高选择性识别 F⁻。紫外 - 可见滴定和¹H NMR 滴定实验表明，观察到的变化是通过包括 BSB 与 F⁻之间的氢键作用和去质子化的联合过程发生的。此外，密度泛函理论（DFT）水平的理论计算进一步揭示了探针设计策略以及 BSB 与 F⁻之间相互作用的本质。发现 BSB 对 F⁻的检测限和结合常数分别为 6.9×10⁻⁷ M 和 1.42±0.069×10⁸ M⁻²。最后，以 F⁻和 H⁺作为化学输入，吸光度作为输出，构建了一个 INHIBIT 逻辑门，该逻辑门具有“多写入”能力，其光学输出无明显降解。
