摘要
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。
On the basis of AM1 method, the interactions between the squaraines and the anions, such as F\+-, Cl\+-, Br\+-, O\+\{2-\}, S\+\{2-\}, etc., have been studied by means of the proposed model in which the anion approaches vertically the center of the four\|membered rings of the squaraine. The calculated results suggest that the squaraines are characterized by the particular electron\|defect rings and tend to act upon the electron\|rich anions. The strength of these action is related to the charges and polarizabilities of the anions and is improved by the introduction of electron withdrawing groups.\=
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
1999年第3期450-453,共4页
Chemical Journal of Chinese Universities
基金
国家自然科学基金
