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The data presented in this paper is related to the research article entitled “Synthesis, Spectroscopy, Electrochemistry and DFT of Electron-Rich Ferrocenylsubphthalocyanines” [1] where electrochemical redox data and cyclic voltammograms at only a scan rate of 0.10 V s−1 of four ferrocenylsubphthalocyanine dyads Fc(CH2)nCO2BSubPc(H)12 (n = 0, 1 or 3) and FcCO(CH2)2CO2BSubPc(H)12, are presented. This data article provides extensive electrochemical redox data and cyclic voltammograms at various scan rates from 0.05 up to 5.00 V s−1 to illustrate the effect of the different scan rates on the electrochemical behaviour of the four ferrocenylsubphthalocyanine dyads.

Redox data obtained from cyclic voltammetry experiments of the FeII/III and ring-based oxidation and reductions of subphthalocyanines containing a ferrocenylcarboxylic acid as axial ligand, is presented in this data in brief article. The FeII/III oxidation of ferrocenylsubphthalocyanines which containing the electron-withdrawing fluorine atoms at the peripheral and non-peripheral positions, are ca. 0.100 V more positive than FeII/III oxidation of ferrocenylsubphthalocyanines containing hydrogens at the peripheral and non-peripheral positions. For more insight into the reported data, see the related research article “Redox and photophysical properties of four subphthalocyanines containing ferrocenylcarboxylic acid as axial ligands” [1].

Redox data obtained from cyclic voltammetry experiments of the FeII/III oxidation of six ferrocenyl carboxylic acids is presented in this data in brief article. Data is obtained from the cyclic voltammograms at scan rates of two orders of magnitude (0.05 – 5.00 Vs−1) using (i) acetonitrile as solvent and tetrabutylammonium hexafluorophosphate as supporting electrolyte and (ii) dichloromethane as solvent and tetrabutylammonium tetrakispentafluorophenylborate, as the electrolyte. Data is reported versus the FeII/III redox couple of ferrocene. For more insight in the reported data, see the related research article “Solvent and substituent effect on Electrochemistry of ferrocenylcarboxylic acids”, published in Journal of Electroanalytical Chemistry [1].

A series of novel ferrocenylsubphthalocyanine dyads Y-BSubPc(H)12 with ferrocenyl-carboxylic acids Y-H = (FcCH2CO2-H), (Fc(CH2)3CO2-H) or (FcCO(CH2)2CO2-H) in the axial position were synthesized from the parent Cl-BSubPc(H)12 via an activated triflate-SubPc intermediate. UV/Vis data revealed that the axial ferrocenyl-containing ligand did not influence the Q-band maxima compared to Cl-BSubPc(H)12. A combined electrochemical and density functional theory (DFT) study showed that Fe group of the ferrocenyl-containing axial ligand is involved in the first reversible oxidation process, followed by a second oxidation localized on the macrocycle of the subphthalocyanine. Both observed reductions were ring-based. It was found that the novel Fc(CH2)3CO2BSubPc(H)12 exhibited the lowest first macrocycle-based reduction potential (−1.871 V vs. Fc/Fc+) reported for SubPcs till date. The oxidation and reduction values of Fc(CH2)nCO2BSubPc(H)12 (n = 0–3), FcCO(CH2)2CO2BSubPc(H)12, and Cl-BSubPc(H)12 illustrated the electronic influence of the carboxyl group, the different alkyl chains and the ferrocenyl group in the axial ligand on the ring-based oxidation and reduction values of the SubPcs.