Substituent effects on cation-π interactions:: A quantitative study
Substituent effects on cation-π interactions:: A quantitative study
复制标题
DOI：
10.1073/pnas.072647899
复制
发表时间：
2002-04-16
影响因子：
11.1
通讯作者：
Zonta, C
中科院分区：
文献类型：
--
作者：
Hunter, CA;Low, CMR;Zonta, C
合成的超分子复合物已被改编为定量阳离子π，在氯仿中的相互作用，通过使用化学双突变体循环。发现吡啶阳离子与芳香环的π-面的相互作用对π-电子密度非常敏感。供电子取代基导致强吸引相互作用（-8kJ/mol（-1）），但吸电子基团导致排斥相互作用（+2kJ/mol（-1））。
A synthetic supramolecular complex has been adapted to quantify cation-pi, interactions in chloroform by using chemical double-mutant cycles. The interaction of a pyridinium cation with the pi-face of an aromatic ring is found to be very sensitive to the pi-electron density. Electron-donating substituents lead to a strong attractive interaction (-8 kJ/mol(-1)), but electron-withdrawing groups lead to a repulsive interaction (+2 kJ/mol(-1)).