三氯乙酸苯胺加合物的制备和晶体结构  

Preparation and Crystal Structure of Adduct of Trichloroacetonitrile Aniline

作　　者：陈伟[1] 车云霞[1] 郑吉民[1] 

机构地区：[1]南开大学化学系,天津300071

出　　处：《人工晶体学报》2004年第6期1011-1014,共4页Journal of Synthetic Crystals

基　　金：南开大学学生创新基金资助

摘　　要：制备了具有非线性光学特性的标题加合物 ,以蒸发法培养出无色透明的、晶形完整的单晶 ,该晶体在 1 0 6 4nm的Nd3+ :YAG调Q脉冲激光束照射下 ,产生绿色的 5 3 2nm的倍频光 ,其倍频光强度约是KDP的 3～ 4倍。以X射线衍射法测定了 1 :1加合物的晶体结构 ,晶体学数据为 :单斜晶系 ,Pc空间群 ,a =0 .6 0 4 5 7( 1 6 )nm ,b =1 .0 94 0 ( 3 )nm ,c=0 .86 6 7( 2 )nm ,β =1 0 4 .0 4 5 ( 4)° ,V =0 .5 5 6 1 ( 3 )nm3,Z =2 ,Mr=2 5 6 .5 0 ,Dc=1 .5 3 2g/cm3,μ =0 .797mm-1 ,F( 0 0 0 ) =2 6 0 ,R1 =0 .0 5 4 0 ,wR2 =0 .1 3 2 5。三氯乙酸与苯胺之间存在着质子的转移 。The tide (1:1) adduct was prepared and the single crystal was obtained by evaporating the solvent slowly at low temperature. The crystal gives frequency doubling radiation which is 3-4 times as strong as KDP at 532nm under the irradiation of Nd3+ : YAG laser beam at 1064 nm. The crystal structure of the nonlinear optical material was determined by X-ray diffraction method. It is monoclinic, space group PC, with a = 0.60457(l6) nm, b = 1.0940(3) nm, c = 0. 8667(2) nm, β=104.045(4)°, Z = 2, R1=0.0540, wR2-0.1325. There is a proton transfer between trichloroacetonitrile and aniline which are connected by intermolecular hydrogen bonds to form three-dimensional network.

关 键 词：加合物 氢键网络 晶体结构 单斜晶系 非线性光学 KDP 晶体学 无色 苯胺 制备 

分 类 号：O614[理学—无机化学] TQ649[理学—化学]