Ashwathi A V, Basheer Sabeel M
Department of Chemistry, School of Advanced Sciences, VIT-AP University, Amaravati, 522237, India.
Sci Rep. 2025 Jan 13;15(1):1859. doi: 10.1038/s41598-024-84414-z.
CQHC, a novel colorimetric fluorescent sensor, developed for the selective sensing of ions and well characterised, including SC-XRD. It demonstrated selective sensing for Co, Zn, Hg and F using absorbance titration at 420 nm, 446 nm and the binding constants estimated follows the order F > Co > Hg > Zn. On light of this, molecular logic gate was built for CQHC's selective multi-ion detection. However, fluorescence titration analysis revealed that CQHC is solely selective for F ions. This conclusion was validated by H-NMR titration, clearly showed deprotonation occurs from N-H. Fluorescent decay titration, kinetic investigations and computational studies all contributed to the selective sensing of F. According to TD-DFT calculations, added fluoride ion interacts with N-H proton and deprotonates to generate F-H in the excited state.
CQHC是一种新型比色荧光传感器，专为选择性检测离子而开发，并经过了充分表征，包括单晶X射线衍射分析。通过在420nm、446nm处进行吸光度滴定，它对钴、锌、汞和氟表现出选择性传感，估计的结合常数顺序为氟＞钴＞汞＞锌。据此，构建了用于CQHC选择性多离子检测的分子逻辑门。然而，荧光滴定分析表明CQHC仅对氟离子具有选择性。这一结论通过氢核磁共振滴定得到验证，清楚地表明去质子化发生在N-H处。荧光衰减滴定、动力学研究和计算研究都有助于对氟的选择性传感。根据含时密度泛函理论计算，添加的氟离子与N-H质子相互作用并去质子化，在激发态产生F-H。
