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)

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 = 1.571 mm-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.

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

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-μ 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) nm3, Z = 4, dc = 1.840 g·cm3, T= 293(2) K, μ= 1.571 mm-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.