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3,5-(二硝基苯甲酸)与(二乙醇胺)加合物的合成和晶体结构

Crystal Structure of 1:1 Adduct of 3,5-Dinitrobenzoic Acid and Diethanolamine

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【作者】 郝吉民夏爱兵车云霞王宏根王如骥

【Author】 ZHENG Ji-min, XIA Ai-bing, CHE Yun-xia(Department of Chemistry, Nankai University, Tianjin, 300071)WANG Hong-gen, WANG Ru-ji(Central Laboratory , Nankai University)

【机构】 南开大学化学系南开大学中心实验室南开大学中心实验室 天津300071天津300071

【摘要】 合成了具有非线性光学特性的标题加合物.以降温法培养出24 mm×15 mm×38 mm大尺寸单晶,该单晶在1064 nm的Nd3+:YAG激光束照射下,产生绿色的532 nm倍频光.以X射线衍射法测定了此1:1加合物的晶体结构,晶体属P1空间群,a=0.4609(2)nm,b=0.7405(5)nm,c=1.0684(6)nm,a=95.50(5)°,β=98.72(3)°,γ=104.33(5)°,Z=1;R=0.076.3,5-二硝基苯甲酸与二乙醇胺之间,以氢键相联,构成平行于001晶面的二维网络.

【Abstract】 The title 1:1 adduct was prepared and a large single crystal with dimensions of 24 mm×15 mm×38 mm was obtained by slow-cooling method. It produces the green radiation at 512 nm under the irradiation of Nd3+ : YAG laser beam at 1064 nm. The crystal structure of this potential non-linear optical material was studied by X-ray diffraction method. The crystal is triclinic, space group P1, with a=0. 4609(2) nm, b=0. 7405(5) nrn, c=l. 0684(6) nm, α= 95.50(5)°, β=98. 72(3)°, γ=104.33(5)°, Z=l; R=0. 076. The molecules of 3,5-dini-trobenzoic acid and diethanolamine are connected to each other by intermolecular hydrogen bonds to form two-dimensional net-work which are parallel to the 001 plane.

  • 【文献出处】 高等学校化学学报 ,Chemical Research In Chinese Universities , 编辑部邮箱 ,1992年07期
  • 【被引频次】4
  • 【下载频次】58
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