2-甲酰基苯磺酸钠缩氨基硫脲铒配合物的合成与晶体结构

以2-甲酰基苯磺酸钠和氨基硫脲为原料,合成了一个含磺酸基的希夫碱配体,并得到了其铒的配合物,用X-射线单晶衍射方法对其进行了晶体结构解析。该配合物为三斜晶系,空间群为P-1,晶胞参数：a=1.0596（4）nm,b=1.3700（5）nm,c=1.8305（7）nm,β=96.775（6）,°V=2.4726（16）nm^3,Z=2,Mr=1244.42,Dc=1.671 g/cm^3,T=273（2）K,F（000）=1270,μ（MoKa）=2.039 cm^-1,R=0.0407,wR=0.1032。配合物由阳离子基团、阴离子基团和中性基团构成,阳离子基团为Er^3＋和八个水分子配位基团,为十二面体几何构型,阴离子基团为2-磺酸根离子苯甲醛缩氨基硫脲,中性基团为甲醇和水分子,它们通过丰富的氢键形成三维网状结构。

Synthesis and Crystal Structrue of 2-Sulfonic Acid Ion Benzaldehyde Thiosemicarbazone

A novel schiff base ligand containing sulfonic acid has been synthesized using 2-formylbenzenesulfonic sodium and 3-thiosemicarbazide as starting materials,and an erbium complex was synthesized.The crystal structure of the erbium complex was determined by X-ray single crystal diffraction.The results showed that the compound was triclinic,with P-1,a=1.0596（4） nm,b=1.3700（5） nm,c=1.8305（7） nm,β=96.775（6） °,V=2.4726（16） nm^3,Z=2,M = 1244.42,Dc=1.671 g/cm^3,T=273（2） K,F（000）=1270,μ（MoKa）=2.039 cm^-1,R=0.0407 and wR=0.1032.The complex consists of the cation,anion and neutral groups,the coordination environment of the cation Er^3＋ consists of eight oxygen atoms from the free water molecular,making up a dodecahedron,the anion groups are 2-sulfonic acid ion benzaldehyde thiosemicarbazone and the neutral groups are the water molecular and methanol,the complex formed three-dimensional network structure through a lot of hydrogen bonds.