增长法在离域体系纳米线中的应用(英文)

Elongation Method for Delocalized Nano-wires

本文综述了增长法这样一个原先起源于理论合成非周期性聚合物的方法。通过不同的体系验证了增长法高精度和高效率的特性。通过轨道漂移的处理手段,增长法能成功地应用到离域的π共轭体系。其处理手法是在增长过程中一些离域性特别强的分子轨道被重新指认到活性轨道中去,并与进攻的单元相互作用。增长法也可用来确定离域的卟啉线体系的非线性光学系数。

The elongation method,originally proposed for theoretical synthesis of aperiodic polymers,has been reviewed.The reliability and efficiency of the elongation method have been proven by various systems.By means of orbital shift,the elongation method has been successfully applied to delocalized π-conjugated systems.During the elongation process,some strongly delocalized orbitals are assigned to active orbitals and joined with the interaction of the attacking monomer.The elongation method is also applied to determine the NLO properties of delocalized porphyrin wires.