两个基于苯并噻唑-2-硫酮的银(Ⅰ)配合物的合成、晶体结构和光谱性质（英文）

Syntheses, Crystal Structures and Spectroscopic Properties of Two Benzothiazoline-2-thione-Based Complexes for Silver(Ⅰ)

合成了2个含有杂环硫酮的银(Ⅰ)配合物,[Ag Cl(PPh3)2(BTZT)]2(1),[Ag(PPh3)2(BTZT)2](NO3)CH3OH(2)(PPh3=三苯基膦;BTZT=苯并噻唑-2-硫酮),并通过红外光谱、X射线单晶衍射、荧光光谱和核磁共振氢谱进行表征和分析。杂环硫酮存在化学活性基团-N(H)-C(=S)-,在平衡中与其硫醇形式可以相互转化。2个配合物是在含有2-巯基苯并噻唑(MBT)的甲醇与二氯甲烷混合溶液中,Ag Cl或Ag NO3与三苯基膦反应得到的。配合物1的每个不对称单元中包含2个相同的分子结构,但是它们具有不同的键长和键角。配合物2是一个简单的单核杂配配合物,它的主体结构通过氢键作用连接游离的CH3OH和NO3-离子。配合物1和2发射峰的红移源于配体中的π-π*跃迁。

Two silver（Ⅰ） complexes with heterocyclic thione, [AgCI（PPh3）2（BTZT）]2 （1） and [Ag（PPh3）2（BTZT）2]（NO3） · CH3OH （2） （PPh3=triphenylphosphine; BTZT=benzothiazoline-2-thione） have been synthesized and characterized by IR, single-crystal X-ray diffraction, fluorescence spectrum and 1H NMR spectroscopy. Heterocyclic thiones possess chemically active groups -N（H）-C（=S）- in equilibrium with its thiol form. 1 and 2 are obtained by the reactions of AgCl or AgNO3 with PPh3 in the presence of 2-mercaptobenzothiazole （MBT） in mixed solvent （CH3OH/ CH2C12）. The complex 1 contains two same structures in each asymmetric unit, but there are different bond lengths and bond angles. Complex 2 is a simple mono-nuclear heteroleptic complex whose main structure links free CH3OH and NO3- anion by hydrogen bonding interactions. The red-shift of emission peak of 1-2 is derived from ligand-centered π-π＊ transition. CCDC： 1059719, 1; 1059720, 2.