Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines

A method to determine absolute configurations of primary amines by combined use of a chiroptical probe <b>1</b> and theoretical calculations is reported. Probe <b>1</b> is linked to chiral primary amines yielding <b>1</b>–amine conjugates, which exhibited exciton coupled circular dichroism in the <i>m</i>-quaterphenyl chromophores. The ratios between the <i>P</i> and <i>M</i> conformers of the <b>1</b>–amine conjugates, which are calculated with DFT, were correlated highly with the sign and amplitude of the observed CD spectra