【摘要】 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。更多还原

【Abstract】 Through studying the exciplexes formed from toluene, naphthalene, anthracene respectively with 1,4-dicyanobenzene, the difference in capability of these three systems to form exciplexes bas been compared; their activation energies, 0.48, 1.07 and 1.22 kcal/mol respectively, have been calculated. From the fluore- scence spectra, activation energies and electronic cloud density distribution one can see that besides ionization potentials and electron affinities, the electronic cloud density of excited molecule and molecular volume effect also have influence on the exciplex formation. The favorable way of overlaping is the overlaping of benzene rings. The capability to form exciplexes with 1,4-dicyanobenzene is toluene>naphthalene>anthracene.更多还原