更新:26 APR 2016
参考文献:
[1] Mechanisms for DNA Charge Transport. Chem. Rev. 2010, 110, 3, 1642-1662
【电子转移机理】
Superexchange: coherent orbital-mediated tunneling, where, for electron (hole) transport, the high-energy LUMOs(HOMOs) on the pathway are virtually occupied, allowing a probability and corresponding rate of transmission from the donor to the acceptor.([1]1652)
大意即Superexchange(固体物理学的超交换)即由于轨道耦合(coherent orbital-mediated tunneling)电荷从donor的最高轨道迁移到acceptor的轨道。
电子转移速率表示为:
(k_{CT}=v_nv_e)
其中
(v_n=expleft[dfrac{(Delta G +lambda)^2}{4pi lambda RT} ight])
(v_e=dfrac{2pi}{hbarsqrt{4pi lambda RT}}|H_{DA}^0|^2exp(-eta d))