Study of the deposition and Raman and XPS characterization of a metal ion tetrasulphonated phthalocyanine layer at gold surfaces: density functional theory calculations to model the vibrational spectra

This paper describes the electrodeposition of Cu(II), Fe(III) and Al(III) tetrasulphonated phthalocyanine tetrasodium salts (Cu(II)TSPc, Fe(III)TSPc and Al(III)TSPc) at gold electrodes. Experimental evidence was provided that all MTSPc's are deposited by using Raman spectroscopy and X-ray photoelectron spectroscopy. The modified electrodes are a useful tool for electrocatalysis and electroanalysis. The vibrational spectra were modelled using density functional theory (DFT) calculations. One specific band in the Raman spectra is highly sensitive to the metal ion, indicating a relationship between cavity size of the MTSPc's and frequency of this Raman band.