Theoretical Calculations on the Second-order Nonlinear Optical Property of Chiral Bis-corroles

• 作 者: YING Xiao DENG Qin LIAO Shi-Ju
• 机 构: DepartmentofAppliedPhysics,DepartmentofAppliedChemistry,DepartmentofChemistry
• 出 处: 结构化学
• 发表日期: 2007年8期
• 关键词: 二次非线性光学性质 手性结构 四苯基卟啉 L-氨基酸 corrole amino acid chiral bis-corrole the second-orde
• 基金项目: Supported by the NNSFC （20476034）, Research Grants Council of Hongkong and SRF for R0CS, State Education Ministry

The second-order nonlinear optical (NLO) properties of 5,10,15-triphenylcorrole (TPC), 5,10,15,20-tetraphenylporphyrin (TPP) and L-amino acid bridged bis-corroles 1, 2, 3 and 4 have been calculated by using TDHF/PM3 method based on the RHF/6-31G (TPC and