Comparisons are made of the calculated optical rotation tensors of C 2v-symmetric, polyaromatic hydrocarbons and their helicene, helicene, and helicene isomers. Seven -shaped, planar compounds had, in each case, larger computed tensor elements than the chiral helicenes. Merely obviating the condition of solution averaging wholly changes expectations of the magnitudes and etiologies of optical activity. Symmetries of achiral compounds facilitate semiquantitative correlations between structure and optical rotation.
ASJC Scopus subject areas
- Colloid and Surface Chemistry