ABSTRACT A new, highly sensitive and selective chemosensing method has been developed for the detection of cyanide ion using benzamide hydrazone receptors (R1-R4). The sensing ability of these compounds towards CN− in the presence of Br −, HSO4 −, Cl−, OH−, I−, F−, AcO−, NO2 − and NO3 − in DMF and DMF-Aqueous mixture (DMF:H2O, 9:1 v/v) was investigated. The binding characteristics of the probe with cyanide ions carried out by 1 H NMR titrations indicated the deprotonation of N-H group through H-bond interactions between benzamide hydrazones and cyanide ions; it has been theoretically supported by DFT. The binding constant (Ka) and stoichiometry of the host–guest complex formed was calculated by the Benesi–Hildebrand (B–H) plot, and strong interaction of the probe with CN- ions forming a 1:2 binding stoichiometry has been noted in this study. In a DMF and aqueous medium for CN− ion, the lower limit of detection (LOD in ppm) is compared to the limit of quantification (LOQ in ppm), which is quite better in terms of sensitivity. Graphical abstract

中文翻译：

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一种源自苯甲酰胺腙的高选择性化学传感器，用于检测有机和有机水介质中的氰化物离子：设计、合成、传感和计算研究

摘要 开发了一种新的、高灵敏度和选择性的化学传感方法，用于使用苯甲酰胺腙受体 (R1-R4) 检测氰化物离子。在 DMF 和 DMF-水性混合物 (DMF:H2O) 中存在 Br -、HSO4 -、Cl-、OH-、I-、F-、AcO-、NO2 - 和 NO3 - 的情况下，这些化合物对 CN- 的传感能力, 9:1 v/v) 进行了研究。1 H NMR滴定表明探针与氰化物离子的结合特征表明NH基团通过苯甲酰胺腙和氰化物离子之间的H键相互作用去质子化；理论上已经得到了 DFT 的支持。形成的主客体复合物的结合常数 (Ka) 和化学计量由 Benesi-Hildebrand (B-H) 图计算，探针与 CN-离子的强相互作用形成 1:2 结合化学计量已在这项研究。在 DMF 和 CN− 离子的水性介质中，检测下限（LOD 以 ppm 为单位）与定量限（LOQ 以 ppm 为单位）进行比较，后者在灵敏度方面要好得多。图形概要