一种新型非线性分子C_(22)H_(22)N_4O_3的合成、晶体结构及表征

Synthesis,Crystal Structure and Characterization of a Novel Nonlinear Chromophore C_(22)H_(22)N_4O_3

设计并合成了一种新型的非线性材料分子,2-二氰基甲叉-3-氰基-4-[2-N,N-二羟基乙基氨基苯乙烯基]-5,5-二甲基-2,5-二氢呋喃。用红外光谱、核磁共振氢谱和元素分析对其进行了表征,用X射线单晶衍射仪测定了其晶体结构,该晶体属于三斜晶系,空间群为P-1,晶胞参数分别为a=9.5364(12)nm,b=10.1030(15)nm,c=13.599(2)nm,α=91.306(2)°,β=102.046(3)°,γ=117.149(3)°,Dc=1.148g/cm3,Z=2,F(000)=412,V=1129.7(3)nm3。

A new nonlinear chromophore, 2-dicycnomethylene-3-cyano-4-[ 2-（ N, N-dihydroxy ethylaminostyryl） ] -5, 5-dimethyl-2, 5-dihydrofuran has been designed and synthesized. The structure of the chromophor was characterized by IR and ^1HNMR and elemental analysis. The crystal structure of the chromophor was also determined by X-ray single crystal diffraction. It crystallizes in triclinic, space group P-1 witha= 9.5364（12） nm,b = 10.1030（15）nm,c = 13.599（2）nm, α= 91.306（2）°,β = 102.046（3）°, γ = 117. 149（3）°, Dc=1.148 g/cm^3, Z=2, F（000） =412,V= 1129.7（3） nm^3.