四种多芳环吡啶鎓高氯酸盐电子光谱的溶剂效应

Solvents effects on the electronic spectra of multiaryl pyridinium perchlorates

本文测试了4种多芳环吡啶鎓高氯酸盐化合物在9种溶剂中的电子光谱。发现化合物的V^(UV)和V^(FL)分别与溶剂的n^2-1/2n^2+1、(ε-n^2)(2ε+n^2)/ε(n+2)~2和ε-1/ε+2-n^2-1/n^2+2以及化合物的(V^(UV)-(V)^(FL))与溶剂的(ε-1/2ε+1-n^2-1/2n^2+1)都存在着一定的线性关系。并应用PPP-SCF-CI方法计算得到的分子基态和激发态的π电子偶极矩和分子平均键级对化合物电子光谱溶剂效应进行了定性解释。

The electronic spectra of four multiarylpyridinium perchlorates in nine solvents were studied. It was found that the vuv and vFL of these compounds varied linearly with theand of the solvents, and the (vuv-vFL) of the compounds alsovaried linearly with the of the solvents.The PPP-SCF-CI method was used to interpret the solvent effects on the electronic spectra of these compounds.