2,4,6-三苯乙烯基均三嗪(TSTA)的结构及其光学性质

Structure of Octupolar Molecule TSTA and Its Optical Properties

制备了 2 ,4,6 三苯乙烯基均三嗪 (TSTA)的晶体 ,用四圆X射线衍射法测得该晶体属于正交晶系的Cmc2 1空间群(No .36) ,晶体结构不仅非中心对称 ,而且具有极性 ,分子构型为微弯曲的平面三角形 .该化合物独特的分子结构和晶体结构导致了其二阶非线性光学效应 ,在 10 64nmps脉冲基频光下 ,测得其粉末的倍频光强度为尿素的 1.8倍 .另外 ,TSTA还具有很好的透明性 (最长波长吸收峰位于 32 2nm)和较好的热稳定性 (熔点为 2 2 5～ 2 2 7℃ ) .

2,4,6-Tristyryl-s-triazine (TSTA, C27H21N3) is an octupolar compound with a molecular configuration of a slightly curved planar triangle. Its crystal is determined to belong to the orthorhombic space group Cmc2(1) (No. 36) by a four-circle diffractometer. The polar non-centrosymmetric crystal structure accounts for its significant second-harmonic generation (SHG) efficiency, which is 1.8 times as large as that of urea under 1064 nm input laser pulses. The good thermal stability (melting point 225 similar to 227 degreesC) and excellent transparency (with peak position at 322 nm in absorption spectrum) qualify it as a promising SHG material.