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采用新型Salen中间体合成了新型SalenZn(II)配合物.用紫外-可见光谱滴定法研究了主体双核SalenZn(II)与咪唑、二胺类等含氮小分子的分子识别行为,测定了它们的缔合常数.对咪唑类客体的缔合常数顺序为K(Im)>K(2?MeIm)>K(EMeIm);对二胺类客体缔合常数顺序为K(DAP)>K(DAE).主体与咪唑类和二胺类客体的配位数分别是2和1.主体与这些客体的识别过程为放热、熵减的焓驱动反应.利用圆二色光谱研究了识别过程的Cotton效应.用分子力学方法研究了主客体体系的最低能量构型,通过量化计算对实验事实做了进一步解释.
The new SalenZn (II) complexes were synthesized by the new Salen intermediates.The molecular recognition of the dinitrogen-containing small molecules such as dinuclear SalenZn (II) and imidazoles and diamines was studied by UV-visible spectrophotometry. (KE)> K (2? MeIm)> K (EMeIm). The association order of diamines was K (DAP)> K (DAE) .The main coordination number of the guest with imidazole and diamine is 2 and 1. The identification of the guest and these guest is the exothermic and entropic enthalpy driven reaction.The cotton effect of the recognition process was studied by circular dichroism The lowest energy configuration of host - guest system is studied by molecular mechanics method, and the experimental facts are further explained through quantitative calculation.