Surface enhancement Raman spectroscopy and density functional theory study of silver nanoparticles synthetized with d‐glucose

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).

Deciphering the Raman spectrum of royal jelly. Fabrication of Ag‐polymer embedded royal jelly nanoparticles manifesting SERS effect

“…The AgNP‐glucose sample was synthesized according to the procedure described in González Fá et al Namely, 40 μl of D‐glucose solution was added to 265 μl of AgNO 3 solution (5.88 × 10 −3 mol/L) adjusting to pH 10.00 by NaOH and diluted with water to a final volume of 10 ml. The colorless solution was stirred for 1 min until the appearance of brown‐yellow color indicative for the fabrication of AgNPs.…”

“…The fabrication of the AgNPs with RJ, probed by three water‐soluble stabilization agents (citrate, polyethylene glycol [PEG], and polyvinylpyrrolidone [PVP]), made possible to observe Raman bands by means of the SERS, with marked fluorescence quenching and strengthening the Raman signals. In a similar context, different capping agents on AgNPs were recently synthesized with glucose and studied by SERS and DFT methods …”

Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles

“…Variations of this model were introduced, but keeping the use of a three silver atom triangular cluster to evaluate the properties of silver nanoparticles and its interactions with Cdots. This cluster size has demonstrated to be a good approximation for calculating the adsorption energies of glucose and gluconate ions on silver nanoparticles 14,23 . This assumption confirmed in previous works, is based on Recka et al work 36 , which shows that major size clusters can be build up by Ag 3 basic units.…”

Recent advances in linear and nonlinear Raman spectroscopy. Part XIII

“…Gonzalez Fa reported a SERS and density functional theory (DFT) comparison of silver NPs synthetized with d ‐glucose. Their results reveals a preference for d ‐gluconate anion acting as capping agent under the necessary presence of d ‐glucose on the surface of the AgNPs . Harroun and co‐workers studied the adsorption orientation of 8‐azaadenine (8AA) on silver NPs as determined by SERS and DFT calculations.…”

“…Their results reveals a preference for D-gluconate anion acting as capping agent under the necessary presence of D-glucose on the surface of the AgNPs. [27] Harroun and co-workers studied the adsorption orientation of 8azaadenine (8AA) on silver NPs as determined by SERS and DFT calculations. Their findings show that 8AA adsorbs onto AgNPs via its N3 and N9 side in an adenine-like manner.…”