The twisted arc model for chiral molecules

Details The twisted arc model for chiral molecules The twisted arc model for chiral molecules

2007-03-28

arxiv.org/abs/physics/0703252v1

Chem. Phys. 335, 115-123 (2007)

Physics

Chemical Physics

21 pages, 4 figures

Scientific paper

10.1016/j.chemphys.2007.04.005

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 H2S2, in a reasonably realistic way.

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