Surface enhancement Raman spectroscopy and density functional theory study of silver nanoparticles synthetized with D-glucose

ALEJANDRO GONZÁLEZ FÁ; IGNACIO LÓPEZ CORRAL; RICARDO FACCIO; ALFREDO JUAN; MARÍA SUSANA DI NEZIO

JOURNAL OF RAMAN SPECTROSCOPY

JOHN WILEY & SONS LTD

Lugar: Londres; Año: 2018 vol. 49 p. 1756 - 1764

0377-0486

The role of α‐ and β‐D‐glucose, and D‐gluconate anion,acting as capping agent, on silver nanoparticles (AgNPs) was evaluated usingboth Raman and density functional theory studies. The particles weresynthetized employing glucose, as reducing and blocking agent, in alkaline conditions.Capping agents were characterized through surface enhancement Ramanspectroscopy together with modeling performed using silver clusters. Severalgeometries were optimized, and its energies and wavenumbers were calculated foreach of them. Vibration normal modes from D‐glucose isomers and D‐gluconate wereobtained and compared with those reported in bibliography, showing asatisfactory correlation. Comparison between experimental and calculatedfrequencies reveals a preference for D‐gluconate anion acting as capping agent under thenecessary presence of D‐glucose on the surface of the AgNPs. The study ofenergies shows a greater affinity of D‐gluconate for the silver atoms (above −1.3 eV forboth geometries) than for other configurations of the glucose molecule (about −0.66eV in the case of α‐D‐glucose).