SERS of Dopamine: Computational and experimental studies

Abstract

Computational and experimental studies have been carried out on Dopamine. The calculated Raman spectra of Dopamine with and without Silver clusters (Ag_n (n = 1-4)) are compared with each other and it is shown that the intensity of the Raman activity increases with increasing number of silver atoms. The SERS effect shown by this system is further supported by calculating the Global electrophilicity index ω, the static mean polarizability α₀, and the anisotropy of the polarizabilities Δα. Stabilities of the complexes are analysed using the charge transfer, stabilization energies, and interaction energies. The reactive parameters for these complexes were further supported by looking at the molecular electrostatic potential (MESP) surfaces. SERS substrates were fabricated by sintering silver nanoparticle paste onto a fused silica substrate, using a femtosecond laser. Detection of Dopamine up to 1 μM is reported using the SERS substrates.

Keywords: DFT; Dopamine; Femtosecond Laser Sintering; SERS; Silver clusters.