基于密度泛函理论研究锂-冠醚复合物的结构和热力学参数
赵岩,敖银勇,陈建,宋宏涛,黄玮,彭静

Density Functional Theory Studies of the Structures and Thermodynamic Parameters of Li+-Crown Ether Complexes
Yan ZHAO,Yin-Yong AO,Jian CHEN,Hong-Tao SONG,Wei HUANG,Jing PENG
图1 冠醚中配位原子的编号
Fig 1 Signs of the O in the crown ethers R1 = H, CH3, C2H5, C3H7, C4H9, Br, CH3O, CH3COO, CH3S, C4H9S, NO2; R2 = H, CH3, C2H5, C3H7, C4H9