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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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粉末x线衍射测定间氨基苯甲酸/富马酸(2/1)有机盐晶体结构
DOI: 10.3969/j.issn.1671-7627.2014.02.014, PP. 83-88
Keywords: 晶体工程,氢键,质子转移,直接空间法,rietveld精修
Abstract:
以间氨基苯甲酸和富马酸为原料,采用乙醇溶液结晶法制备间氨基苯甲酸/富马酸(2/1)有机盐粉晶体。利用粉末x线衍射数据,通过指标化确定其晶胞参数并采用直接空间法解析其晶体结构。结合傅里叶红外光谱仪测定羧酸根中h的结合情况,利用rietveld精修技术对其晶体结构进行精修,最终测定了间氨基苯甲酸/富马酸(2/1)有机盐的晶体结构。该晶体结构中不对称单元中包含1个质子化的间氨基苯甲酸和半个去质子化的富马酸。羧基上和氨基上的h全部参与氢键作用。系统分析了该晶体结构中氢键的形成方式,揭示了氢键在晶体结构中的堆砌作用,并展示了粉末x线衍射技术在有机分子晶体结构测定中应用前景。
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