Study on the structure and vibrational spectra of functionalized Au nanoparticles: Theoretical and experimental results
Por:
Rodríguez-Ortiz G., Téllez-Vázquez O., Gutiérrez-Wing C., Esparza R., Pérez R.
Publicada:
1 ene 2013
Resumen:
Structural and spectral characteristics of functionalized Au nanoparticles have been studied by electron microscopy, vibrational spectroscopy and quantum chemical methods. Gold nanoparticles were synthesized through a microwave induced reaction, starting with a two phase system using 1-dodecanethiol as passivating agent. The nanoparticles were structurally characterized using aberration-corrected scanning transmission electron microscopy (Cs-STEM) equipped with a high-angle annular dark field (HAADF) detector. The main structures of the nanoparticles were fcc-like and icosahedrons. Density functional theory (DFT) calculations, optimized geometries and vibrational spectra, have been carried out using 6-31G* basis sets and B3LYP functional. The experimental and theoretical infrared spectra of the functionalized Au nanoparticles show the main absorption peaks from 1-dodecanethiol, C-H stretch from CH2 at 2917, 2848 and from CH3 at 2954 and 2872 cm-1, C-H from -CH2 - deformation at 1467 and from CH3 at 1376 cm-1. Infrared spectra of octanethiol and gold nanoparticles functionalized with octanethiol were also obtained. These nanostructures can be used in applications such as diagnostics, biosensing, therapeutics, and drug delivery. © (2013) Trans Tech Publications, Switzerland.
Filiaciones:
Rodríguez-Ortiz G.:
Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Santiago de Querétaro, QRO, 76230, Mexico
Téllez-Vázquez O.:
Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Santiago de Querétaro, QRO, 76230, Mexico
Gutiérrez-Wing C.:
Instituto Nacional de Investigaciones Nucleares, Ciencias Aplicadas-Tecnología de Materiales, Carr. México-Toluca S/N, La Marquesa, Ocoyoacac, EDM, C.P. 52750, Mexico
Esparza R.:
Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Santiago de Querétaro, QRO, 76230, Mexico
Pérez R.:
Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Santiago de Querétaro, QRO, 76230, Mexico
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