Excitation Energy Transfer Rate Constants in meso-meso Linked Zn(II) Porphyrin Arrays with Energy Accepting 5,15-Bisphenylethynylated Zn(II) Porphyrin

Bulletin of the Korean chemical society

Heeyoung Kim¹  Eunji Sim¹  Jin Hee Park¹  Damee Ko¹  Dongho Kim¹ 

关键词: Porphyrin;    Energy transfer;    Path integral;    Simulation;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

The excitation energy transfer process occurring in energy donor-acceptor linked porphyrin array system is theoretically simulated using the on-the-fly filtered propagator path integral method. The compound consists of an energy donating meso-meso linked Zn(II) porphyrin array and an energy accepting 5,15-bisphenylethynylated Zn(II) porphyrin, in which the donor array and the acceptor are linked via a 1,4-phenylene spacer. Real-time path integral simulations provide time-evolution of the site population and the excitation energy transfer rate constants are determined. Simulations and experiments show an excellent agreement indicating that the path integration is a useful tool to investigate the energy transfer dynamics in molecular assemblies.

【 授权许可】

Unknown