title: Combination of a new chiroptical probe and theoretical calculations for chirality detection of primary amines.
abstract: A method to determine absolute configurations of primary amines by combined use of a chiroptical probe 1 and theoretical calculations is reported. Probe 1 is linked to chiral primary amines yielding 1-amine conjugates, which exhibited exciton coupled circular dichroism in the m-quaterphenyl chromophores. The ratios between the P and M conformers of the 1-amine conjugates, which are calculated with DFT, were correlated highly with the sign and amplitude of the observed CD spectra.
authors.affiliation: Department of Chemistry, Faculty of Science and Research Center for Materials with Integrated Properties, Toho University , 2-2-1, Miyama, Funabashi, Chiba 274-8510, Japan.
authors.forename: Shunsuke
authors.initials: S
authors.lastname: Kuwahara
authors.forename: Masaya
authors.initials: M
authors.lastname: Nakamura
authors.forename: Akira
authors.initials: A
authors.lastname: Yamaguchi
authors.forename: Mari
authors.initials: M
authors.lastname: Ikeda
authors.forename: Yoichi
authors.initials: Y
authors.lastname: Habata