Subject: frustrated translations

From: Arbouznikov Alexei <[email-masked]>
Date: Thu, 11 Jun 1998 09:07:38 +0200 (MDT)

Dear CCL'ers,

	I would be very much obliged to anybody who could give me
references on the following problem:

	It is known that a molecule, after being adsorbed on a solid
surface, loses its translational (and rotational - if it is not a
monoatomic one) degrees of freedom. One of the translations is 
transformed into vibration against the adsorption site (and
usually correlates very well with the adsorption energy). Two other
translations are transformed to vibrations also, but the latter are
the displacements in the plane of the surface. There are experimental
measurements of these "frustrated translations" (e.g., by J.T.Yates, Jr.
et el.). However, I failed to find any THEORETICAL SIMULATIONS of these
motions. 

	Any hint will be greatly appreciated. At the moment, it even
doesn't matter for me, which molecules on which surface are adsorbed. 

	Summary is guaranteed.

	Regards,

	Dr. Alexei Arbouznikov
        Ecole Nationale Superieure de Chimie,
	Laboratoire de Materiaux Catalytiques et Catalyse en
	Chimie Organique, UMR 5618 CNRS-ENSCM - Prof. F.Fajula,
        8, rue de l'Ecole Normale
        34296 Montpellier, Cedex 5
        FRANCE

        Telephone: (33) 4-67-14-72-68
        Fax:   (33) 4-67-14-43-49
        E-mail: [email-masked]