物理化学学报 >> 2008, Vol. 24 >> Issue (01): 176-178.doi: 10.3866/PKU.WHXB20080132

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奥扎格雷的晶体结构和酸碱性质

杨维春; 剧川川; 凡素华; 孙豪岭; 王科志   

  1. 北京师范大学化学学院, 北京 100875; 平顶山学院化学化工学院, 河南 平顶山 467002
  • 收稿日期:2007-09-04 修回日期:2007-10-18 发布日期:2008-01-05
  • 通讯作者: 王科志 E-mail:kzwang@bnu.edu.cn

Crystal Structure and Acid-Base Properties of Ozagrel

YANG Wei-Chun; JU Chuan-Chuan; FAN Su-Hua; SUN Hao-Ling; WANG Ke-Zhi   

  1. College of Chemistry, Beijing Normal University, Beijing 100875, P. R. China; College of Chemistry and Chemical Engineering, Pingdingshan University, Pingdingshan 467002, Henan Province, P. R. China
  • Received:2007-09-04 Revised:2007-10-18 Published:2008-01-05
  • Contact: WANG Ke-Zhi E-mail:kzwang@bnu.edu.cn

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摘要： 通过单晶X射线衍射测定了奥扎格雷的晶体结构. 晶体属正交晶系, 空间群为P212121, 晶胞参数为a=0.62522(6) nm, b=0.91897(8) nm, c=1.95789(18) nm, V=1.12492(18) nm3, Z=4. 通过紫外光谱和荧光光谱pH滴定研究了其基态和激发态酸碱性质, 测定了奥扎格雷的基态和激发态酸式电离常数. 结果表明奥扎格雷是一个pH诱导的荧光分子开关.

关键词: 奥扎格雷, 晶体结构, 酸碱性质, 紫外光谱, 荧光光谱

Abstract: Crystal structure of ozagrel was determined by X-ray diffraction. The compound was crystallized in the orthorhombic space group P212121. The lattice parameters are, a=0.62522(6) nm, b=0.91897(8) nm, c=1.95789(18) nm, V=1.12492 (18) nm3, Z=4. The ground-and excited-state acid-base properties of ozagrel were studied using UV and emission spectrophotometric pH titrations, and the ground-and excited-state acidity constants were derived. The results showed that ozagrel acted as a pH induced on/off luminescence switch.

Key words: Ozagrel, Crystal structure, Acid-base property, Ultraviolet spectrum, Fluorescence spectrum