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以苯并咪唑为原料,合成了两性羧酸N,N′-二羧甲基苯并咪唑内鎓盐(1)。在Al(OH)3存在条件下通过水热法获得化合物(1)的新型单晶。通过X-射线单晶衍射法确定了其结构,荧光光谱法研究了其荧光性质,并用电位滴定法测得25℃时其解离平衡常数Ka为2.26×10-4。标题化合物属正交晶系,I41/a空间群,Mr=522.47,a=18.3086(9),b=18.3086(9),c=14.1915(14),z=8,Dc=1.422mg·m-3,F(000)=2192,最终偏离因子R=0.0578,wR2=0.1799。
With benzimidazole as raw material, the amphoteric carboxylic acid N, N’-dicarboxymethyl benzimidazole ylide (1) was synthesized. A novel single crystal of compound (1) was obtained by hydrothermal method in the presence of Al (OH) 3. Its structure was confirmed by single crystal X-ray diffraction. Fluorescence spectroscopy was used to study its fluorescence properties. The dissociation equilibrium constant Ka was 2.26 × 10-4 at 25 ℃ by potentiometric titration. The title compound is an orthorhombic, I41 / a space group with Mr = 522.47, a = 18.3086 (9), b = 18.3086 (9), c = 14.1915 (14), z = 8, Dc = 1.422 mg · m- 3, F (000) = 2192, the final deviation factor R = 0.0578, wR2 = 0.1799.