无机-有机杂化晶体[C_(12)H_(11)N_2O_2][Cd(SCN)_3]的合成和晶体结构(英文)  

Synthesis and Crystal Structure of Inorganic-organic Hybrid Crystal [C_(12)H_(11)N_2O_2][Cd(SCN)_3]

作　　者：党东宾[1] 孙继德[1] 柏 尚伟丽[1] 高慧[1] 

机构地区：[1]河南大学化学化工学院分子与晶体工程研究所,开封475004

出　　处：《人工晶体学报》2009年第3期608-611,624,共5页Journal of Synthetic Crystals

基　　金：The National Natural Science Foundation of China(No.20701012);the Foundation of the Education Ministry of China(No.207068);the Natural Science Foundation of the Education Department of Henan Province of China(No.2007150011;2008B150002)

摘　　要：合成了无机-有机杂化晶体[C12H11N2O2][Cd(SCN)3],并采用元素分析、红外光谱表征和单晶X射线衍射分析和热重分析研究。红外光谱分析表明SCN-采用1,3-μ模式。结构分析表明,相邻的Cd(II)原子通过三个1,3-μ-SCN-阴离子桥连形成无限的[Cd(SCN)3-]∞之字链结构,固体结构中[C12H11N2O2]+阳离子和[Cd(SCN)3-]∞配阴离子形成了分离柱状堆积。该晶体属于单斜晶系P2(1)/c空间群,晶胞参数分别为:a=1.1260(3)nm,b=1.5080(4)nm,c=1.1070(3)nm,β=105.410(10)°,V=1.8121(8)nm3,Z=4,dc=1.840 g.cm3,T=293(2)K,μ=1.571mm-1,F(000)=992,R1=0.0343,wR2=0.0750[I>2σ(I)]。热分析结果在180-305℃化合物失去一个有机分子,305℃以上伴随着镉升华失去三个SCN-阴离子。A new inorganic-organic hybrid compound [NO2BzPy] [Cd（SCN）3 ], where [ NO2BzPy ] ^＋ = 1- （4＇-nitro-benzyl） pyridinium, was synthesized and characterized by elemental analysis, IR spectroscopy, TG analysis and single-crystal X-ray diffraction. The results of IR analysis show that the SCN anions are coordinated in a di-1,3-/L bridge mode. Adjacent Cd（II） atoms are linked by three 1,3-μ-SCN anions forming infinite [ Cd （SCN）3^- ]∞ zigzag polymeric chains. In the crystal structure of the title compound, cations and ations form completely segregated stacking column along the direction of c-axis. Crystal data： monoclinic, space group P2（1）/c with a=1.1260（3）nm,b=1.5080（4）nm,c=1.1070（3）nm,β=105.410（10）°,V=1.8121（8）nm^3,Z=4,dc=1.840 g·cm^3,T=293（2）K,μ=1.571mm^-1,F（000）=992,R1=0.0343,wR2=0.0750[I〉2σ（I）]. Thermogravimentric analysis reveal the organic molecule is lost in the range of 180-305 ℃ and three SCN anions are lost after 305 ℃ accompanying the sublimation of cadmium.

关 键 词：无机-有机杂化材料 镉(II)配合物 晶体结构 

分 类 号：O78[理学—晶体学]