DOI: https://doi.org/10.24820/ark.5550190.p009.817 Page 492 © ARKAT USA, Inc The Free Internet Journal for Organic Chemistry Paper Archive for Organic Chemistry Arkivoc 2017, part ii, 492-506 A circular dichroism–DFT method for conformational study of flexible molecules: the case of 1- and 2-naphthyl diesters Marcin Kwit,* Natalia Prusinowska, Robert Cysewski, Beata Warżajtis, Urszula Rychlewska,* and Jacek Gawroński* Adam Mickiewicz University, Department of Chemistry, Umultowska 81B, 61 614 Poznan, Poland E-mail: marcin.kwit@amu.edu.pl, urszular@amu.edu.pl, gawronsk@amu.edu.pl Dedicated to Prof. Jacek Młochowski on the occasion of his 80 th anniversary Received 07-29-2016 Accepted 11-06-2016 Published on line 12-27-2016 Abstract 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 (1S,2S)-cyclopropane-1,2-dicarboxylic acid constitute the first examples of cyclopropane diaryl esters for which the crystal structures have been determined. Keywords: 1- and 2-Naphthol, chiral dicarboxylic acids, circular dichroism, X-ray, conformation, DFT