多橋分子體系中橋能量對電子轉(zhuǎn)移速率的影響

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中圖分類號：0643.1 文獻(xiàn)標(biāo)志碼：A 文章編號：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

電子轉(zhuǎn)移是均相體系中最簡單最基本的化學(xué)行為，在物理、化學(xué)、生物學(xué)中都存在相關(guān)研究。（剩余6447字）