[期刊论文]


The twisted arc model for chiral molecules

作   者:
Johannes Trost;Klaus Hornberger;

出版年:2007

页     码:115 - 123
出版社:Elsevier BV


摘   要:

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.



关键字:

Chiral molecule;Twisted wire model;Multipole-multipole polarizability


所属期刊
Chemical Physics
ISSN: 0301-0104
来自:Elsevier BV