SERS spectrum and DFT calculations of 6-nitrochrysene on silver islands

Author	dc.contributor.author	Carrasco, E. A.
Author	dc.contributor.author	Campos, M.	es_CL
Author	dc.contributor.author	Clavijo Campos, Ernesto	es_CL
Author	dc.contributor.author	Leyton, Patricio	es_CL
Author	dc.contributor.author	Díaz, G.	es_CL
Author	dc.contributor.author	Koch, Rainer	es_CL
Admission date	dc.date.accessioned	2007-05-16T20:47:42Z
Available date	dc.date.available	2007-05-16T20:47:42Z
Publication date	dc.date.issued	2005-03-17
Cita de ítem	dc.identifier.citation	VIBRATIONAL SPECTROSCOPY 37 (2): 153-160 MAR 17 2005	en
Identifier	dc.identifier.issn	0924-2031
Identifier	dc.identifier.uri	https://repositorio.uchile.cl/handle/2250/118610
Abstract	dc.description.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.	en
Lenguage	dc.language.iso	en	en
Publisher	dc.publisher	ELSEVIER SCIENCE BV	en
Keywords	dc.subject	DENSITY-FUNCTIONAL THEORY	en
Título	dc.title	SERS spectrum and DFT calculations of 6-nitrochrysene on silver islands	en
Document type	dc.type	Artículo de revista