摘要/Abstract
合成了具有较高荧光性能的香豆素衍生物：7-羟基-6-氧代-6H-苯并香豆素-8-羧酸（3a）及2，3-苯并-7-羟基-6-氧代-6H-苯并香豆素-8-羧酸（3b），通过单晶X射线衍射对化合物结构进行了表征.3a和3b在乙醇溶液、晶体结构下具有较高的荧光量子产率（ФF）.3a晶体结构存在羧酸二聚体，较强的分子间作用力使其荧光量子效率可达0.32，组成二聚体单元的所有原子处在同一平面内，3a的分子刚性较强.二聚体单元间则通过C—H…O分子间氢键以边对面的堆积方式相连.
关键词: 苯并香豆素羧酸衍生物, 晶体结构, 二聚体, 荧光性能
Two fluorescent compounds, 7-hydroxy-6-oxo-6H-benzo[c]chromene-8-carboxylic acid (3a) and 2,3-benzo[f]-7-hydroxy-6-oxo-6H-benzo[c]chromene-8-carboxylic acid (3b) have been synthesized and characterized by the method of X-ray single crystal diffraction. 3a and 3b show high fluorescence quantum efficiency in both ethanol solution and solid state. In the crystal-state, dimerization of carboxylic group and intermolecular interaction lead to 3a owned a high fluorescence quantum efficiency (ФF=0.32). The dimers existing in 3a crystal lattice, are composed of carboxylic acid groups and have strong intermolecular interactions (bond lengths are 0.1870 nm, bond angles are 166.8°). All the atoms in dimer are nearly coplanar, showing extremely strong plane rigidity. The dimers are connected by C-H…O intermolecular hydrogen bonds, and the edge-to-face stackings exist in neighbor dimers.
Key words: benzo[c]coumarin carboxylic acid, crystal structure, dimer, fluorescent property
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