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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。
In this paper, the electronic spectra of four kinds of polyaromatic pyridinium perchlorate compounds in nine solvents were tested. It was found that the UV and V ~ (FL) of the compound are respectively related to the n ~ 2-1 / 2n ~ 2 + 1, (ε-n ~ 2) (2ε + n ~ 2) / ε (V - (V) - (FL)) of the compound and (ε-1 / 2ε + 1-n ~ 2-1 / 2n ~ 2 + 1) there is a certain linear relationship. The π-electron dipole moment and molecular average bond order of the ground state and excited state of the molecule calculated by the PPP-SCF-CI method were used to qualitatively explain the solvent effect of the compound electron spectroscopy.