摘要
研究了桥联双(甲巯咪唑)化合物(Ⅰ_a—Ⅳ_a、Ⅰ_b)的合成和配位性能。UV谱显示Ⅰ_a—Ⅳ_a与UO_2^(2+)离子(硬酸)配位,溶液中形成3:1的配合物。Ⅰ_b与Hg^(2+)、Au^(3+)离子(软酸)配位形成2:1的配合物,用CNDO/2方法计算了各配体分子中原子净电荷密度和HOMO、LUMO能量。
The syntheses and coordination properties of bridged bis(methimazole) compounds of Ia-IVa and I b are studied. The UV spectra reveal that Ia- IVa coordinate UO2 ( Ⅱ ) (hard acid) ion into complexes with the ratio L:UO2( Ⅱ ) = 3:1 and that Ib coordinates Hg( Ⅱ ), Au ( Ⅲ ) (soft acid) ions into complexes with the ratio L:M = 2:1. The atomic net charge densities and frontier orbital (HOMO, LUMO) energies of I a- IVa and I b molecules were calculated by CNDO/2 method.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1992年第3期328-331,共4页
Chemical Journal of Chinese Universities
关键词
桥联
双(甲巯咪唑)
合成
配位性能
Bridged bis(methimazole) compounds, Complex, UV spectra, Atomic charge density
