Sobolewski Andrzej L, Gil Michał, Dobkowski Jacek, Waluk Jacek
J Phys Chem A. 2009 Jul 9;113(27):7714-6. doi: 10.1021/jp905306f.
A model for the radiationless deactivation of porphycenes has been proposed based on the theoretical prediction that the lowest electronic state of one of the cis tautomeric forms corresponds to an open-shell nonplanar structure. The radiationless channel is provided by crossing of the potential energy surfaces of the ground and lowest excited states along the hydrogen-transfer coordinate. The model explains the large dependence of fluorescence of several porphycenes on viscosity. It also allows prediction of the emissive properties for differently substituted porphycenes.
基于理论预测，即顺式互变异构形式之一的最低电子态对应于开壳非平面结构，提出了一种卟吩无辐射失活的模型。无辐射通道是通过基态和最低激发态的势能面沿氢转移坐标交叉提供的。该模型解释了几种卟吩荧光对粘度的强烈依赖性。它还可以预测不同取代卟吩的发光特性。
