Noncovalent binding of the halogens to aromatic donors. Discrete structures of labile Br2 complexes with benzene and tolueneElectronic supplementary information (ESI) available: crystallization of C6H6·Br2 and C6H5Me·Br2, crystal data, and their principal geometric parameters. See http://www.rsc.org/suppdata/cc/b1/b102148f/

Abstract

Precise molecular structures resulting from the noncovalent interaction of Br₂ with benzene (and toluene) reveal the unusual localized bonding to specific (one or two) carbon centers in prereactive complexes leading directly to the transition states for electrophilic aromatic brominations.