【摘要】 合成了未见文献报道的N ,N ,N′ ,N′ 四 [( 2 苯并咪唑 )甲基 ]乙二胺的丁基取代衍生物 (BuEDTB)与稀土硝酸盐的配合物 [M(BuEDTB) (NO3 ) 2 ]·NO3 ·4H2 O [M =La ( 1) ,Eu ( 2 ) ,Tb ( 3 ) ] ,并用X射线衍射法测定了 1的结构 .晶体属三方晶系 ,空间群P3 2 2 1,晶胞参数a =1 413 5 3 ( 9)nm ,c =2 62 64 ( 4 )nm ;V =4 5 44 7( 9)nm3 ,Dc=1 189g/cm3 ,Z =3 ,F( 0 0 0 ) =1686,μ =0 75 8mm-1,R =0 0 5 62 ,wR =0 14 88.乙二胺上两个N原子及四个苯并咪唑各有一个N原子参与配位 ,两个硝酸根以双齿形式与稀土离子配位 ,第三个硝酸根不与金属离子配位 .用abinitioHF方法研究了BuEDTB的电子结构更多还原

【Abstract】 Three new lanthanide complexes with the butyl substituted N , N , N ′, N ′ tetrakis(2 benzi~midazol~yl~methyl) 1,2 ethanediamine (BuEDTB), \[M(BuEDTB)(NO 3 ) 2 \]·NO 3 ·4H 2 O \[M=La ([ST5HZ]1), Eu (2), Tb (3)\] were synthesized. The crystal structure of were synthesized. The crystal structure of 1 was determined by X ray diffraction analysis. It belongs to trigonal system, space group P 3 2 21 with a =1 41353(9) nm, c =2 6264(4) nm; Z =3, V =4 5447(9) nm 3 , D c=1 189 g/cm 3 , μ =0 758 mm -1 , F (000)=1686, R =0 0562, wR =0 1488. The lanthanum ion is coordinated to six nitrogen atoms from one molecule of BuEDTB and four oxygen atoms from two nitrate ions. But the third nitrate ion is free. The electronic structure of BuEDTB was studied using the ab inito HF method.更多还原