Analysis of the electronic circular dichroism spectrum of (-)-[9](2,5)Pyridinophane

Chirality. 2012 Dec;24(12):994-1004. doi: 10.1002/chir.22087. Epub 2012 Sep 24.

Abstract

The results of a combined experimental and theoretical study of the electronic circular dichroism spectrum of (-)-[9] (2,5)Pyridinophane are presented. The features observed in the measured spectrum in the 180-350 nm wavelength region are reproduced by a series of calculations carried out within a density functional time-dependent approach, coupled with a vibronic analysis allowing rationalizing unambiguously the chiral response of the molecule.