J. Trost and K. Hornberger

The twisted arc model for chiral molecules

Chem. Phys.

Abstract:

We present a simple model for chiral molecules which yields the frequency-dependent multipole-multipole polarizabilities
required for calculating the dispersive van der Waals constants
in a simple, closed, and consistent form.
The model consists of a single effective charge confined to a
one-dimensional wire formed by two circular arcs, which are twisted with respect to each other by an angle characterizing the chirality. The resulting
polarizabilities show a simple functional dependence on the model parameters, and they serve to mimic the chiral properties of small molecules, such as H_{2}S_{2}, in a reasonably realistic way.

(9 pages, 4 figures)
[journal, eprint arXiv:physics/0703252]
(c) Elsevier 2007

doi:10.1016/j.chemphys.2007.04.005