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比较了甲苯、萘、蒽在与1.4-二氰基苯(DCB)形成激基复合物能力上的差别,估算了它们与DCB形成激基复合物的活化能分别为0.48、1.07、1.22kcak/mol。根据其荧光光谱、活化能和激发态分子电子云密度的分布,指出影响激基复合物形成的因素,除了电子电离能和电子亲和力外,还有激发态分子的电子云密度分布和分子的体积效应。在与DCB形成激基复合物的能力上应该是甲苯>萘>蒽。苯环与苯环相重叠可能是比较有利的互叠方式。
The differences in the ability of toluene, naphthalene and anthracene to form exciplexes with 1.4-dicyanobenzene (DCB) were compared. The activation energies of exciplex complexes with DCB were estimated to be 0.48, 1.07, 1.22 kcak / mol. According to their fluorescence spectra, activation energy and excited electron density distribution, we point out the factors that affect the formation of exciplex. In addition to electron ionization energy and electron affinity, the distribution of electron density of excited molecules and the volume of molecules effect. Toluene> naphthalene> anthracene should be the ability to form exciplex with DCB. Polarization of the benzene ring to the benzene ring may be a more advantageous method of stacking.