ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Polyphenol-mediated preparation of metal nanoparticles: experimental and theoretical study

Luana Caliandra Freitas de Carvalho, Yslaine Andrade de Almeida, Edna da Silva Machado, Nailton Martins Rodrigues, and Iara de Fátima Gimenez

Programa de Pós-Graduação Em Ciência E Engenharia de Materiais, Universidade Federal de Sergipe, Itabaiana, Brazil

E-mail: iara.gimenez@gmail.com

Received: 30 June 2023  Accepted: 30 October 2023

Abstract:

Here, we evaluated the effect of different TA: cation proportions in the absence and in the presence of poly(N-vinyl-2-pyrrolidone) on the formation of Ag, Au and Rh nanoparticles. Samples were characterized by UV/visible spectroscopy and transmission electron microscopy, and computational density functional theory (DFT) calculation was carried out using a derivative of gallic acid as a simple model of the TA structure. The morphology of Ag nanoparticles in the absence of PVP depended on the TA: Ag proportion leading to isolated or aggregated spherical nanoparticles, while the presence of PVP lead to clusters of nanoparticles with no significant changes in average diameters. For Au nanoparticles, spherical particles were obtained for all samples in the absence of PVP, while the addition of PVP significantly loss of morphological control. The morphology of Rh nanoparticles varied significantly depending on the preparation conditions, ranging from spherical to irregularly shaped particles shapes and aggregated material. Addition of PVP was beneficial for the formation of nanoparticles. DFT calculation evidenced that the bidentate mode of interaction is the most stable for all metal atoms, with predominant electrostatic interactions for Ag and Au, while the interaction with Rh has a strong covalent character.

Keywords: Metallic nanoparticles; Silver; Gold; Rhodium; Tannic acid; DFT calculation

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-023-03190-8

Chemical Papers 78 (3) 1625–1634 (2024)