A Circular Dichroism – DFT Method for Conformational Study of Flexible Molecules: the Case of 1- and 2-Naphthyl Diesters

The two chromophores, 1-or 2-naphthyl, have been introduced into chiral dicarboxylic acids molecules via the ester bond, in order to experimentally determine/prove the absolute stereochemistry of the molecule. The 1-naphthyl chromophore is considered to be a better CD chromophoric derivative for a hydroxy group. Di-1- naphthyl-and di-2-naphthyl esters of (1 S ,2 S )-cyclopropane-1,2-dicarboxylic acid constitute the first examples of cyclopropane diaryl esters for which the crystal structures have been determined.