Abstract
Abstract The magnetic circular dichroism (MCD) and ultraviolet (UV) absorption spectra of 4,4′-disubstituted biphenyls were measured. The MCD spectra showed diverse spectral patterns reflecting the natures of the substituent groups. These observed MCD spectra were reproduced by the theoretical calculations based on the Pariser-Parr-Pople-SCF-CI method. The dihedral angles of 4,4′-disubstituted biphenyls were estimated to be about 20° by comparing the observed MCD spectra with the calculated ones. The assignments for the MCD bands of 4,4′-disubstituted biphenyls were given on the basis of these calculations. The substituent effects of biphenyls were interpreted by the use of the coefficients of the configuration interactions.
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