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设计了负离子与2,4-二苯基-1,3-环丁烯二酮(Sq)的作用模型,用AM1方法研究了F-,Cl-,Br-,O2-,S2-等负离子与Sq的相互作用.结果表明,负离子对体系具有稳定化作用,离子电荷、离子极化性和取代基效应等对亲电作用有显著的影响
The mode of action of negative ions and 2,4-diphenyl-1,3-cyclobutene dione (Sq) was designed. The negative ions such as F-, Cl-, Br-, O2- and S2- Sq interaction. The results show that the negative ions have a stabilizing effect on the system, and ionic charges, ionic polarizabilities and substituent effects have a significant effect on electrophilicity