| 2-环己氧羰基乙基三氯化锡及其N,N-二乙基二硫代氨基甲酸配合物的合成与结构表征(英文) |
| Synthesis and Structural Characterization of 2-Cyclohexyloxycarbonylethyltin Trichloride Complexes of N,N-Diethyldithiocarbamate |
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| 摘要: 合成了2-环己氧羰基乙基三氯化锡及其N,N-二乙基二硫代氨基甲酸配合物,通过元素分析、IR、1H和 13C NMR及X-射线单晶衍射对其结构进行了表征。化合物2属于单斜晶系,C2/c空间群,晶胞参数为a=1.90867(17)nm,b=0.67885(8)nm,c=3.1902(3)nm,β=97.311(7)°,Z=8,μ=1.715mm-1,R=0.0334。中心锡原子为含有分子内羰基氧原子和N,N-二乙基二硫代氨基甲酸配体的两个硫原子配位的畸变八面体构型。波谱数据表明化合物1和2存在着分子内羰基氧原子对锡原子的配位,而在化合物3和4中这一配位则被两个或三个双齿二硫代氨基甲酸配体所替代。化合物2的理论研究表明AM1半经验计算可以成功预测这类有机锡化合物的几何构型。 |
| 关键词: 2-环己氧羰基乙基三氯化锡 有机锡配合物 N,N-二乙基二硫代氨基甲酸盐 晶体结构 |
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| Abstract: 2-Cyclohexyloxycarbonylethyltin trichloride and its complexes with N, N-diethyldithiocarbamate,(CH2)5CHO COCH2CH2SnCl3-x[S2CN(Et)2]x (x=0, 1; 1, 2; 2, 3; 3, 4), were synthesized and characterized by the means of elemental analysis, IR, 1H and 13C NMR and X-ray single crystal diffraction. The crystal structure of complex 2 (monoclinic space group C2/c with unit cell parameters a=1.90867(17)nm, b=0.67885(8)nm, c=3.1902(3)nm, β=97.311(7)°, Z=8, μ=1.715mm-1, R=0.0334) shows that the tin atom adopts a distorted octa-hedral geometry via the N, N-diethyldithiocarbamate ligand and intramolecular carbonyl oxygen to tin coordination. The spectral data suggest that intramolecular carbonyl oxygen to tin coordination in 1 is existent and is not allowed in order to accommodate two and three bidentate dithiocarbamate ligands in 3 and 4 respectively. Theoretical study for 2 indicates that AM1 semi-empirical calculations successfully predict the molecular geometries for these organ-otin compounds in the solid. CCDC: 2, 168460. |
| Keywords: 2-cyclohexyloxycarbonylethyltin trichloride ogranotin complex N,N-diethyldithiocarbamate crystal structure |
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| 田来进,商志才,俞庆森,赵文娜,周正宇,于文涛.2-环己氧羰基乙基三氯化锡及其N,N-二乙基二硫代氨基甲酸配合物的合成与结构表征(英文)[J].无机化学学报,2003,19(7):685-690. |
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