HeI photoelectron spectrum of weakly bonded π‐donor complex of benzene with Br2 is obtained. Benzene orbitals are shifted to higher binding energy by 0.25 eV and the bromine orbitals to lower binding energy by about 0.5 eV due to the complex formation. Ab initio molecular orbital calculations predicted a weak π→σ* complex between benzene and bromine having a C6v symmetry. The charge transfer is from the benzene π cloud to the bromine orbital. The magnitude of charge transfer computed from natural bond orbital analysis is 0.002.
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1996
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