以香豆素为母体的荧光探针的合成、离子识别及拟合计算研究

Syntheses,Ionic Recognition and Theoretical Calculation of the Fluorescence Probe Derived from Coumarin

设计合成了含噻唑和腙结构的香豆素类钴离子荧光探针分子CCo,其结构用1HNMR和13CNMR进行了表征,考察了其光谱性能和电化学性能,并对其结构进行了拟合计算研究。CCo在常见金属离子(Cd2+、Co2+、Na+、Mn2+、Fe3+、Pb2+、Hg2+、Cu2+、Zn2+、Cu+、K+、Mg2+、Ag+、Ni2+、Cr3+)中能够选择性地识别Co2+。滴加Co2+后探针吸收光谱红移60 nm,荧光光谱蓝移75 nm。探针分子溶液在三电极系统及四丁基高氯酸胺作电解质下能用于Hg2+的检测。通过拟合计算进一步验证了探针吸收光谱峰值与实验值一致。

A novel fluorescence molecular probe CCo for Co2~ based on the coumarin-thiazole- hydrazone-functional structure was designed and synthesized. The molecular structure was characterized by means of ~HNMR and ~3CNMR. The spectral properties, the electrochemical properties and the quantum chemical calculation of CCo were studied. CCo exhibited high selectivity to Co2＋ among such metal ions as Cd2＋、Co2＋、Na＋、Mn2＋、Fe3＋、Pb2＋、Hg2＋、Cu2＋、Zn2＋、Cu＋、K＋、Mg2＋、Ag＋、Ni2＋ and Cr3＋. The addition of Co2＋ led to a 60 nm red-shift in absorption spectra and 75 nm blue-shift in fluorescence spectra. Using tetrabutylammonium perchlorate as the supporting electrolyte, the CCo solution with three electrode systems could recognize Hg2＋ . The peak value of the absorption spectra for the CCo which was verified from the theoretical calculation was consistent with the experimental value.