Get access

Induced Chirality in Achiral Media—How Theory Unravels Mysterious Solvent Effects

Authors


  • J.N. acknowlegdes funding by a Liebig Stipendium from the Fonds der Chemischen Industrie (FCI), and would like to thank Prof. M. Reiher for helpful discussions and generous support.

Abstract

original image

The solvent makes the difference: Quantum chemical investigations show that chiroptical properties can originate mainly from a chiral solvent shell rather than from the chiral solute. By using this approach it is possible to explain, for example, why the optical rotation of (S)-methyloxirane is positive in water, but has a relatively strong negative value in benzene (see picture; red: (S)- or (R)-methyloxirane, blue benzene).

Ancillary