SUPPORTING DATA FOR TIME -RESOLVED SPECTROSCOPIC AND DENSITY FUNCTIONAL INVESTIGATION OF SELECTED QUINONE METHIDE AND CARBENE INTERMEDIATE

These are supporting data for "TIME -RESOLVED SPECTROSCOPIC AND DENSITY FUNCTIONAL INVESTIGATION OF SELECTED QUINONE METHIDE AND CARBENE INTERMEDIATE"
Spectroscopic analytical techniques and computational methods were employed to provide an adequate characterization of electronically excited states and transient intermediates. 
Specifically, the Jablonski diagram is sketched to understand the absorption and emission processes in the molecule system. The theoretical study includes geometry optimization and transition state energy employed to assist the interpretation of experimental results. The B3LYP functionals are used to study the charge-carrying system.

本数据集为“时间分辨光谱和密度泛函对所选醌甲烷和碳烯中间体的研究”提供辅助数据。通过采用光谱分析技术及计算方法，对电子激发态及瞬态中间体进行了充分的表征。具体而言，绘制了Jablonski图以解析分子体系中吸收与发射过程。理论研究中包括几何优化和过渡态能量的计算，旨在辅助实验结果的解读。在研究带电系统时，采用了B3LYP泛函。