此系列釕錯合物對氟離子具優異辨識性,用肉眼即可辨識顏色變化。錯合物1的氟離子滴定實驗發現,除了電子吸收光譜中MLCT吸收峰有顯著的變化外,於750 nm會生成一個寬廣吸收峰,半衰期估算為46秒。經ESR光譜印證,確認為有機自由基,錯合物2與錯合物3並無此現象產生。錯合物的酸鹼滴定實驗發現,[OH-]與氟離子的作用相似,顯示溶液顏色的變化,來自錯合物的去質子化。藉由核磁共振光譜的探討得知,加入氟離子後,釕錯合物的兒茶酚或酚基首先被去質子化。加入氟離子或提高pH值,可使錯合物的兒茶酚或酚轉變為半醌或醌,使整體電子組態改變,引發顏色變化,達到偵測氟離子的效果。 A series of new ruthenium(II) complexes, 1 = [RuII(bp)2(hzbp-m-cat)](PF6)2, 2 = [RuII(bp)2(hzbp-o-cat)](PF6)2 and 3 = [RuII(bp)2(hzbp-p-OH)] (PF6)2, were synthesized. The structures were confirmed by single crystal X-ray diffraction study. Characteristics of these compounds were investigated by EA, 1-D & COSY NMR, ESI-mass, UV-vis, phosphorescence, electrochemistry, and ESR spectra. In the absorption, emission, and 1H NMR titration spectra studies revealed that these complexes can be employed as a sensor for fluoride. A distinguishable deep color change in acetonitrile solution was observed. These phenomena were also appeared upon pH value changed. Furthermore, a broad band was appeared at 750 nm in UV-vis titration spectra which revealed the free radical generated from complex 1. The existence of free radical was confirmed by ESR spectra. The HOMO, LUMO of ruthenium complexes and relative binding affinity of fluoride anion toward ligands were evaluated and rationalized with quantum chemical calculations. Finally, we proposed sensing fluoride and deprotonation mechanism to explain the experiments in detail. The protons at catechol or phenol can be removed by additional fluoride or hydroxide.