1. Surface enhancement Raman spectroscopy and density functional theory study of silver nanoparticles synthetized with <scp>d</scp> -glucose
- Author
-
Maria Susana Di Nezio, I. López-Corral, Alejandro Javier González Fá, Ricardo Faccio, and Alfredo Juan
- Subjects
Materials science ,SERS ,Ciencias Químicas ,02 engineering and technology ,CAPPING AGENTS ,SILVER NANOPARTICLES ,010402 general chemistry ,021001 nanoscience & nanotechnology ,DFT ,01 natural sciences ,Silver nanoparticle ,0104 chemical sciences ,symbols.namesake ,D-GLUCOSE ,symbols ,Química Analítica ,General Materials Science ,Density functional theory ,0210 nano-technology ,Raman spectroscopy ,CIENCIAS NATURALES Y EXACTAS ,Spectroscopy ,Nuclear chemistry - Abstract
The role of α‐ and β‐d‐glucose, and d‐gluconate anion, acting as capping agent, on silver nanoparticles (AgNPs) was evaluated using both Raman and density functional theory studies. The particles were synthetized employing glucose, as reducing and blocking agent, in alkaline conditions. Capping agents were characterized through surface enhancement Raman spectroscopy together with modeling performed using silver clusters. Several geometries were optimized, and its energies and wavenumbers were calculated for each of them. Vibration normal modes from d‐glucose isomers and d‐gluconate were obtained and compared with those reported in bibliography, showing a satisfactory correlation. Comparison between experimental and calculated frequencies reveals a preference for d‐gluconate anion acting as capping agent under the necessary presence of d‐glucose on the surface of the AgNPs. The study of energies shows a greater affinity of d‐gluconate for the silver atoms (above −1.3 eV for both geometries) than for other configurations of the glucose molecule (about −0.66 eV in the case of α‐d‐glucose). Fil: González Fá, Alejandro Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Universidad Nacional del Sur. Departamento de Química; Argentina Fil: López Corral, Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina Fil: Faccio, Ricardo Juan. Universidad de la República; Uruguay Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina Fil: Di Nezio, Maria Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
- Published
- 2018
- Full Text
- View/download PDF