多桥分子体系中桥能量对电子转移速率的影响

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中图分类号：0643.1 文献标志码：A 文章编号：1003-5168（2025）12-0079-05

DOI：10.19968/j.cnki.hnkj.1003-5168.2025.12.015

Influence of Bridge Energy on the Electron Transfer Rate in the MultibridgedMolecular System

CHU Xiumei1ZHU Wenjuan² （1.Shangrao Preschool Education College， Shangrao 3340oo， China; 2.Hefei Normal University，Hefei 2306O1， China）

Abstract： [Purposes] This study aims to simulate and calculate the electron transfer rates of a multibridged molecular system in an open dissipative environment to deeply analyze the influence of the bridge energy on the electronic dynamics of the system. [Methods] The Quasi-Adiabatic Propagator Path Integral method is used to calculate the relaxation rate and dephasing rate.[Findings]It is found that the relaxation rate of the system under research increases as the bridge energy decreases，while the dephasing rate decreases as the bridge energy increases，when the environmental factors are kept unchanged. The changing trends of both relaxation and dephasing rates are consistent with the calculated results of the effective two-state system.[Conclusions] Smallreduction in the bridge energy does not affct the superexchange mechanism of the system.

Keywords：multi-bridged molecular system; bridge energy;electron transfer rate

0 引言

电子转移是均相体系中最简单最基本的化学行为，在物理、化学、生物学中都存在相关研究。（剩余6447字）