Abstract

AbstractThe ab initio MP2/6–311 ++ G** method was employed to examine the interaction of five electrophiles, Cl2, Br2 NO+, SiH3+ and CH3+, with benzene. These groups exhibited a full range of complexation from true π‐complexes to full σ‐complexes (Wheland ions). The energy of complex formation increases in the order given above. Copyright © 2002 John Wiley & Sons, Ltd.

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