论文部分内容阅读
本文用PPP和HMO分子轨道法对2-吡啶苄基酮-2-喹啉基(?)分子基态和激发态的碱性进行了计算,PPP方法计算结果较好地解释该分子在基态和激发态的碱性变化规律,而HMO方法仅适用于基态较好。
In this paper, the basicity of ground state and excited state of 2-pyridylbenzyl ketone-2-quinolyl (?) Has been calculated by PPP and HMO molecular orbital methods. The calculation results of PPP method can well explain the effect of this molecule on ground state and excitation State of alkaline changes, while the HMO method is only suitable for the ground state is better.