摘要
用黄金规则和鞍点近似估算了电子转移速率的重要参数.考虑到量子效应对过渡金属氧化—还原的电子传递系数是重要的参量,采用了合适的光谱和光电发射数据,并根据已报导的电子耦合矩阵元的数据.得到了合理的结果,并与经典及量子力学理论进行了比较.结果表明对于室温下发生的此类反应,电子传递系数的值近似或低于1.量子效应使反应速率的绝对值增加了几倍。
The Golden rule and saddle point approximation are employed to evaluate the crucial parameters determining the electron transfer rate, electronic transmission coefficient quantitatively for electron exchange reactions involving transition-metal redox couples considering quantum effects. Adopting appropriate spectroscopic and photoemission data, and the reported value for electronic coupling matrix element, reasonable results are obtained and compared in term of classical and quantum mechanical theory. Investigation shows that for such reactions occurred at room temperature, the values for the electronic transmission coefficient are found to be less than or close to unity. The quantum effect increase the absolute rates by several times, which are not dramatic but still should be considered for complementary purpose.
出处
《曲阜师范大学学报(自然科学版)》
CAS
1999年第2期70-72,共3页
Journal of Qufu Normal University(Natural Science)
基金
国家自然科学基金
山东省自然科学基金
关键词
电子转移反应
溶液
电子传递系数
量子效应
Outer_sphere electron transfer reaction
Transmission coefficient
Outer_sphere recoganization energy Electron transfer rate