Abstract
Gallic acid (GA) molecule was studied by quantum-chemical and experimental approaches since it is a remarkable antioxidant product that could be used to improve the biocompatibility of magnetite nanoparticles in colloidal suspension. Computational modeling has evidenced significant dipolar character as well as good reactivity and stability. The preparation of magnetite nanoparticles capped with GA has resulted in stable colloidal suspension as revealed by Transmission Electron Microscopy investigation. A solvatochromic study was carried out on GA in binary and ternary solutions, evidencing the coexistence of the main types of universal solute–solvent interactions. Based on the spectral behavior in protic and polar solvents the dipole moment vector in the excited state was found.
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