Surface enhanced Raman spectral studies of 2-bromo-1,4-naphthoquinone

• Silver nanoparticles were synthesized by solution combustion method using urea as fuel.
• Prepared silver nanoparticles are rod in shape.
• nRs and SERS studies were performed for 2BrNQ molecule.
• Higher enhancement observed for CO, CBr stretching, in-plane and out-of-plane bending CH modes.
• Orientation of 2BrNQ molecule on silver nanoparticles is ‘stand-on’.

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.

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