论文部分内容阅读
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。
The inorganic-organic hybrid crystals [C12H11N2O2] [Cd (SCN) 3] were synthesized and characterized by elemental analysis, IR characterization, single crystal X-ray diffraction and thermogravimetric analysis. Infrared spectroscopy showed that SCN-using 1,3-μ mode. Structural analysis shows that the adjacent Cd (II) atoms form an infinite chain of [Cd (SCN) 3-] ∞ through three 1,3-μ-SCN- anions. The structure of [C12H11N2O2] + Cations and [Cd (SCN) 3-] ∞ anion form separated columnar deposits. The crystal belongs to the monoclinic P2 (1) / c space group with unit cell parameters of a = 1.1260 (3) nm, b = 1.5080 (4) nm, c = 1.1070 (3) nm and β = 105.410 10 = 0, V = 1.8121 (8) nm3, Z = 4, dc = 1.840 g · cm3, T = 293 (2) K, μ = 1.571 mm-1, F = 0.0750 [I> 2σ (I)]. The thermal analysis results in the loss of one organic molecule at 180-305 ° C and the loss of three SCN- anions at 305 ° C with cadmium sublimation.