Evaluations on the p-Donating Effects of p-Accepting Substituents in the Conjugated-Cationic Systems: A Theoretical Study

초록

The p-donating effects of p-acceptor substituents are investigated theoretically using the high level abinitio calculations for the isodesmic reaction, X-(CH=CH)n-CH3 + (CH2=CH)n-CH2 X-(CH=CH)n-CH2 + (CH2=CH)n-CH3 where n = 1 and 2 and X=NH2, OCH3, F, H, Cl, CHO, CF3, CN and NO2.