Atomic contributions to the optical rotation angle as a quantitative probeof molecular chirality

Chiral molecules are characterized by a specific rotation angle, the angle through which plane-polarized Light is rotated on passing through an enanti omerically enriched solution. Recent developments in methodology allow comp utation of both the sign and the magnitude of these rotation angles. Howeve r, a general strategy for assigning the individual contributions that atoms and functional groups make to the optical rotation angle and, more general ly, to the molecular chirality has remained elusive, Here, a method to dete rmine the atomic contributions to the optical rotation angle is reported. T his approach Links chemical structure with optical rotation angle and provi des a quantitative measure of molecular asymmetry propagation from a center , axis, or plane of chirality.