Indirect calculations of relative rotatory strengths of substituted ketones
Abstract
The twists θ[θ(n)–θ(π*)] of the orbitals of the carbonyl group of a series of model substituted ketones reproduce accurately the variation in the c.d. of the n→π* transition of chiral substituted ketones even when the substituents are heteroatoms (F, Cl, SiH3).