α－BNPT－DTO、β－BNPT－DTO、BNPT－DTT晶体的制备、结构及其非线性光学性质

Preperations,Structures,and Nonlinear Optical Properties of α-BNPT-DTO,β-BNPT-DTO,and BNPT-DTT Crystals

在合成新化合物ＢＮＰＴ－ＤＴＯ的基础上，发现它存在两个晶相：低于４９．１℃从ＣＨ＿３ＮＯ＿２结晶的α－ＢＮＰＴ－ＤＴＯ含１：１的溶剂分子，属三斜晶系Ｐ群，无倍频效应；高于４９．１℃从ＣＨ＿３ＮＯ＿２结晶的β－ＢＮＰＴ－ＤＴＯ不含溶剂分子，属正交晶系Ｐ２＿１２＿１２＿１群，其倍频强度约５倍于尿素。分别生长出１０ｘ８ｘ７ｍｍ￣３的α－ＢＮＰＴ－ＤＴＯ和１２ｘ９ｘ９ｍｍ￣３的β－ＢＮＰＴ－ＤＴＯ的晶体。分析了β－ＢＮＰＴ－ＤＴＯ和ＢＮＰＴ－ＤＴＴ的结构与倍频性质的关系。

An ab initio organic nonlinear optical material investigation on BNPT-DTO Kind of new compounds and new crystals has been carried out.Two crystalline phases of BNPT-DTO have been discovered:Below 49.1℃ in CH_3NO_2,BNPT-DTT crystallizes to centrosymmetric α-BNPT-DTO;above that temperature at same solvent,it crystallizes to non-centrosymmetric β-BNPT-DTO which shows a second harmonic generation intensity five time strong as that of Urea. The crystal structure and frequency doubling effect of the materials are also analyzed.The resalts show that the crystal have good physicochemical stabilities.