Chem. J. Chinese Universities ›› 1987, Vol. 8 ›› Issue (6): 551.

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Orientation Effect and Charge Distribution in Monosubstituted Benzenes

Yuan Hanjie   

  1. Teaehing and Research Section of Chemistry, The Third Military Medical College, Chongqing
  • Received:1985-12-25 Online:1987-06-24 Published:1987-06-24

Abstract: A simple and new method for calculating charge distributions at ortho-, meta-and para-positions,δQo, δQmand δQp, in monosubstituted benzene molecules is presented. Several empirical rules to judge orientation effect in aromatic electrophilic substitution reactions are found. These are:1.when δQp/δQm>1 but △δQ<0, groups of this kind are ortho-and para-position directing with activation; 2. when δQp/δQm>l but △δQ>0, groups of this kind are ortho- and para-position directing with deactivation; 3. when δQp,/δQm<1 but △δQ>0, groups of this kind arc meta-position directing with deactivation.

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