Chiroptical properties of carbo[6]helicene derivatives bearing extended π-conjugated cyano substituents

Chirality. 2013 Aug;25(8):455-65. doi: 10.1002/chir.22201.

Abstract

New carbo[6]helicene derivatives grafted with π-conjugated cyano-phenyl arms were synthesized in enantiopure forms and their π-conjugation examined by UV-vis spectroscopy. The influence of the π-conjugation on the circular dichroism spectra and molar rotations is discussed based on comparing experimental data with results from quantum-chemical calculations. The results highlight the fact that increasing the spatial extension of the π-system in a helicene molecule is an efficient way of increasing its molar rotation.

Keywords: circular dichroism; helicene; pi-conjugation; quantum-chemical calculations.