含S,N吩噻嗪衍生物及其配合物的合成、光谱、非线性光学性质研究及理论计算

Synthesis,Spectra,Nonlinear Optical Properties and Theoretical Calculations of Metal Complexes Containing Phenothiazine Ligand

合成了一种新的配体 :9 乙基 3 甲酰吩噻嗪缩肼基二硫代甲酸苄酯 (HL)及其Co2 + ,Hg2 + 配合物(CoL2 ,HgL2 )。通过元素分析 ,质谱 ,核磁共振确定了配体及配合物的组成和结构。研究了三种化合物的红外、紫外 可见及荧光等线性光学性质 ,并通过Z 扫描技术测定了三种物质的三阶非线性光学性质 ,β值分别为 0 71,0 19,0 395cm·GW- 1 。通过半经验量子化学方法 (RHF PM 3)从理论上计算了它们的结构及光谱性质 。

A new ligand, S-benzyl-[-N-[10-ethylphenothiazinyl-3yl]-methylene] dithiocarbazate ( abbreviated as HL), and its complexes ML2 (M = Co and Hg) have been synthesized and fully characterized by elemental analyses, EI-MS, H-1 NMR, IR, UV-Vis spectra, and photoluminescence measurement. All of the compounds en-tit an olivine color in DMF solution. The emission maximum (lambda(max)(em)), and fluorescence quanturn (Phi(f)) of each compound were measured. Nonlinear Optical properties of the HL and ML2 were studied by z-scan technique. Nonlinear absorption coefficient beta were measured to be 0.71, 0.19 and 0.395 cm(.)GW(-1). Theoretical calculations (RHF/PM3) were consistent with the experimental results.