Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10564661 | Vibrational Spectroscopy | 2005 | 8 Pages |
Abstract
The interaction of 6-nitrochrysene with silver clusters has been modelled by using density functional theory calculations DFT. The chemical adsorption through the nitro group and the corresponding molecular orientation of the adsorbate on silver clusters can be compared with the experimental results obtained in surface-enhanced Raman scattering (SERS). A good agreement is found between the model computation of the vibrational spectrum of the adsorbate and the experimental SERS.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
E.A. Carrasco Flores, M.M. Campos Vallette, R.E.C. Clavijo, P. Leyton, G. DÃaz F., R. Koch,