title: Surface enhanced Raman spectral studies of 2-bromo-1,4-naphthoquinone.
abstract: Silver nanoparticles have been synthesized by a simple and inexpensive solution combustion method with urea as fuel. The structural and morphology of the silver nanoparticles were investigated through X-ray powder diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Energy Dispersion Spectra (EDS) techniques. Structural and morphological results confirmed the nanocrystalline nature of the silver nanoparticles. Density Functional Theory (DFT) calculations were also performed to study the ground and excited state behavior of 2-bromo-1,4-naphthoquinone (2-BrNQ) and 2-BrNQ on silver nanoparticles. Surface-Enhanced Raman Scattering (SERS) spectra of 2-BrNQ adsorbed on silver nanoparticles were investigated. The CO, CH in-plane bending and CBr stretching modes were enhanced in SERS spectrum with respect to normal Raman spectrum. The spectral analysis reveals that the 2-BrNQ adsorbed 'stand-on' orientation on the silver surface. Density Functional Theory (DFT) calculations are also performed to study the vibrational features of 2-BrNQ molecule and 2-BrNQ molecule on silver surface.
authors.affiliation: Department of Physics, Mother Teresa Women's University, Kodaikanal 624101, India.
authors.forename: K
authors.initials: K
authors.lastname: Geetha
authors.affiliation: Department of Physics, Mother Teresa Women's University, Kodaikanal 624101, India. Electronic address: ums10@yahoo.com.
authors.forename: M
authors.initials: M
authors.lastname: Umadevi
authors.affiliation: UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017, India.
authors.forename: G V
authors.initials: GV
authors.lastname: Sathe
authors.affiliation: Laboratoire de Pharmaco-Chimie Radicalaire, Faculté de Pharmacie, Aix-Marseille Univ, CNRS, Institut de Chimie Radicalaire ICR, UMR 7273, 27 Boulevard Jean Moulin, 13385 Marseille Cedex 05, France.
authors.forename: P
authors.initials: P
authors.lastname: Vanelle
authors.affiliation: Laboratoire de Pharmaco-Chimie Radicalaire, Faculté de Pharmacie, Aix-Marseille Univ, CNRS, Institut de Chimie Radicalaire ICR, UMR 7273, 27 Boulevard Jean Moulin, 13385 Marseille Cedex 05, France.
authors.forename: T
authors.initials: T
authors.lastname: Terme
authors.affiliation: Laboratoire de Pharmaco-Chimie Radicalaire, Faculté de Pharmacie, Aix-Marseille Univ, CNRS, Institut de Chimie Radicalaire ICR, UMR 7273, 27 Boulevard Jean Moulin, 13385 Marseille Cedex 05, France.
authors.forename: O
authors.initials: O
authors.lastname: Khoumeri
mesh_terms: D000327:Adsorption; D053768:Metal Nanoparticles / Q000737:chemistry / Q000648:ultrastructure; D008958:Models, Molecular; D009285:Naphthoquinones / Q000737:chemistry*; D033362:Powder Diffraction; D011789:Quantum Theory; D012834:Silver / Q000737:chemistry; D013059:Spectrum Analysis, Raman / Q000379:methods*; D013499:Surface Properties; D014961:X-Ray Diffraction
chemical_list: C529217:2-bromo-1,4-naphthoquinone; D009285:Naphthoquinones; D012834:Silver
keywords: 2-Bromo-1,4-naphthoquinone (2-BrNQ); SEM; Silver nanoparticles; Solution combustion method; Surface Enhanced Raman Scattering; XRD