Data related to the work entitled Spectroscopic studies under properties of chlorpromazine conjugated to gold nanoparticles

Our research focuses on developing synthesis techniques for conjugating chlorpromazine (CPZ), a neuroleptic drug, with gold nanoparticles (AuNPs). The CPZ-AuNP conjugates were synthesized via a ligand exchange reaction on quasi-spherical, negatively charged citrate-stabilized TC-AuNPs, averaging 55 ± 5 nm in diameter. UV–vis spectroscopy was used to assess the stability of the conjugates under varying pH levels and ionic strengths. Electrokinetic measurements revealed that the zeta potential of the CPZ-AuNP conjugates is highly dependent on the amount of CPZ adsorbed onto the nanoparticle surface. Notably, the conjugates displayed an isoelectric point at pH 8.8. To investigate the adsorption structure of CPZ on the TC-AuNPs, surface-enhanced Raman spectroscopy (SERS) and surface-enhanced infrared absorption spectroscopy (SEIRA) were utilized. Spectral interpretation was supported by Raman and FTIR data for CPZ, as well as Density Functional Theory (DFT) calculations. The findings suggest that CPZ binds to the nanoparticle surface primarily through the phenothiazine ring and propylene bridge, both oriented at an angle. Moreover, the C-N-C fragment was found to interact with the TC-AuNP surface in a perpendicular orientation.