Wei Dongbin, Hu Hongying, Hiramoto Kosei, Fujie Koichi
ESPC State Key Joint Laboratory, Department of Environmental Science and Engineering, Tsinghua University, Beijing 100084, China.
Huan Jing Ke Xue. 2003 Mar;24(2):19-22.
The relationship between the reduction characteristics and molecular structure of 87 chlorinated aromatics including naphthalenes, biphenyls, benzenes and phenols was studied by using quantitative structure-property relationship technique. The result indicated that there was significant correlation between reduction potential and the energy of the lowest unoccupied molecular orbital and the number of chlorine atoms in molecule. The study threw more light on the nature of reduction process, and provided valuable basic data for designing and optimizing treatment process.
运用定量结构-性质关系技术研究了87种氯代芳烃（包括萘、联苯、苯和酚）的还原特性与分子结构之间的关系。结果表明，还原电位与最低未占分子轨道能量以及分子中氯原子的数量之间存在显著相关性。该研究进一步揭示了还原过程的本质，为设计和优化处理工艺提供了有价值的基础数据。
