Abstract
Comparisons are made of the calculated optical rotation tensors of C 2v-symmetric, polyaromatic hydrocarbons and their [5]helicene, [6]helicene, and [7]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.
Original language | English (US) |
---|---|
Pages (from-to) | 12918-12921 |
Number of pages | 4 |
Journal | Journal of the American Chemical Society |
Volume | 133 |
Issue number | 33 |
DOIs | |
State | Published - Aug 24 2011 |
ASJC Scopus subject areas
- Catalysis
- General Chemistry
- Biochemistry
- Colloid and Surface Chemistry