Raman and DFT study of methimazole chemisorbed on gold colloidal nanoparticles. Issue 8 (3rd February 2016)

• Record Type: Journal Article
• Authors: Muniz-Miranda, Maurizio; Muniz-Miranda, Francesco; Pedone, Alfonso
• Is Part Of: Physical chemistry chemical physics. Volume 18:Issue 8(2016)
• Page Start: 5974
• Page End: 5980
• Publication Date: 2016-02-03
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c5cp07597a
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The SERS/DFT study of methimazole chemisorbed on Au nanoparticles paves the way for the use of these nanohybrids in biomedicine. Abstract : The adsorption of methimazole on gold colloidal nanoparticles was investigated using a combination of surface-enhanced Raman scattering and density functional theory calculations, which allowed identifying the thiolate anion as the molecular species chemically interacting with the active sites of the gold surface, modeled as zero-charge metal adatoms, only through the sulfur atom. This result can be important for the use of these ligand/metal nanohybrids in the process of drug delivery. Moreover, functionalized gold nanoparticles are able to promote the Raman enhancement in the red-light region as well as in the near-infrared, where generally no fluorescence emission occurs. This paves the way for the use of these nanosystems in a biological environment, even in vivo experiments.