二硫代酯的单晶结构及荧光性能的研究

摘要

Two dithiocarbamates were synthesized and characterized.The crystal structure of dithiocarbamate 1 belongs to monoclinic system with the space group P21,C23H20NS2,with Mr=398.55,a=15.630(3),b=9.7536(17),c=26.959(5)(A),α=90,β=93.375(5),γ=90 °,V=4102.9(14) (A)=3,Z=8,F(000)=1672,and the final R1＝0.1037,wR2＝0.2221.And that of dithiocarbamate 2 is of orthorhombic system with space group Pbca,C17H13NO2S2,with Mr=327.40,a=16.598(5),b=7.490(2),c=24.249(6)(A),α=90,β=90,γ=90 °,V=3014.6(14)(A)=3,Z=8,F(000)=1360,and the final R1＝0.0887,wR2 ＝0.1376.The fluorescent properties of dithiocarbamates 1 and 2 in solution and in solid state were both investigated.Two compounds in acetonitrile solution have strong fluorescence,whereas have no fluorescence in solid state.It may be due to that the molecular aggregation in solid state led to short π-π contacts between the fluorophores in molecular aggregation states and thus caused self-quench of fluorescence intensity.%合成了两种单晶化合物二硫代酯1 和2,并对其经行了表征.二硫代酯1属于单斜晶系,空间群是P21; 二硫代酯2属于正交晶系,空间群是Pbca.此外,分别研究了两种二硫代酯在液态和固态中的荧光性能,发现二硫代酯1和2在乙腈溶剂中有很强的荧光,而在固体状态下没有荧光.这可能是由于在固态下分子间的堆积造成了荧光团发生迅速的π-π碰撞,从而导致荧光的自身淬灭.