Oxidation and reduction data of subphthalocyanines

The data presented in this paper are related to the research article entitled “Electrochemical behaviour of chloro- and hydroxy-subphthalocyanines” [1]. This paper presents detailed oxidation and reduction potential data, obtained from cyclic voltammograms of three subphthalocyanines (SubPcs), in both dichloromethane (DCM) and dichloroethane (DCE) as solvent. The first SubPc is the unsubstituted boron-subphthalocyanine, (ClB)SubPc(H)12, as reference SubPc, the second SubPc is (ClB)SubPc(F)12, containing an electron-poor macro-cycle and (HOB)SubPc(C12H25)6(H)6, containing an electron-rich macro-cycle. The oxidation and reduction potential of (ClB)SubPc(F)12 in DCM is ca. 0.5 V more positive than that of the reference ClBSubPc(H)12, while oxidation and reduction potential of (HOB)SubPc(C12H25)6(H)6 in DCM is ca. 0.45 V more negative than that of the reference (ClB)SubPc(H)12.


Data description
The oxidation and reduction potential data of the unsubstituted boron-subphthalocyanine, (ClB) SubPc(H) 12 , 1, as reference SubPc, (ClB)SubPc(F) 12 , 2, containing an electron-poor macro-cycle and (HOB)SubPc(C 12 H 25 ) 6 (H) 6 , 3, containing an electron-rich macro-cycle, is presented here. Fig. 1 shows the structures of the SubPcs 1e3. Cyclic voltammograms and redox data obtained in dichloromethane (DCM) as solvent are given in Figs. 2e7 and Tables 1e3 respectively. Cyclic voltammograms and redox data obtained in dichloroethane (DCE) as solvent are given in Figs. 8e13 and Tables 4e6 respectively. The 0.10 Vs À1 scans and data are from the research article related to this article "Electrochemical behaviour of chloro-and hydroxy-subphthalocyanines" [1]. The CV scan indicated in red in selected graphs are done at 5.00 V s À1 . The oxidation and reduction potential data obtained here, compare well with available published data on obtained under different experimental conditions (namely different solvents, scan rates and supporting electrolytes) for SubPc 1 [2e7] and SubPc 2 [8]. No detail electrochemical data is available for SubPc 3. Data presented in this study for 1 and 3 in DCM, and 1e3 in DCE show electrochemical quasi reversible oxidation. No electrochemical quasi reversible oxidation with peak current ratios ¼ 1 and peak current separation <0.09 V, is reported till date for SubPcs [3,4].
Specifications Table   Subject  Chemistry  Specific subject area  Electrochemistry  Type of data  Table  Image Graph Figure  How  Value of the Data This data provides cyclic voltammograms and detailed electrochemical data for three subphthalocyanines for scan rates over two orders of magnitude (0.05e5.0 Vs À1 ). This data illustrates the influence of the solvent on the resolution of the cyclic voltammograms for three subphthalocyanines. This data illustrates the influence of the solvent on the value of the redox potentials for three subphthalocyanines. This data illustrates the influence of electron donating and electron withdrawing substituents on the redox potential of the subphthalocyanine. This data illustrates that electrochemical quasi reversible oxidation can be obtained when electrochemical experiments are performed in a high purity argon atmosphere, while using DCM or DCE as the solvent and [N( n Bu) 4 ][B(C 6 F 5 ) 4 ] as supporting electrolyte.

Experimental design, materials, and methods
Electrochemical studies by means of cyclic voltammetry (CV) experiments were performed in an M Bruan Lab Master SP glove box under a high purity argon atmosphere (H 2 O and O 2 < 10 ppm), utilizing a Princeton Applied Research PARSTAT 2273 potentiostat running Powersuite software (Version 2.58).
The cyclic voltammetry experimental setup consists of a cell with three electrodes, namely (i) a glassy carbon electrode as working electrode, (ii) a platinum wire auxiliary and (ii) a platinum wire as pseudo reference electrode. The glassy carbon working electrode was polished and prepared before every experiment on a Buhler polishing mat first with 1-micron and then with ¼-micron diamond paste, rinsed with H 2 O, acetone and DCM, and dried before each experiment.  Cyclic voltammograms in DCM of (ClB)SubPc(F) 12 , 2, at scan rates 0.050 (smallest peak currents), 0.100, 0.200, 0.300, 0.400, 0.500 and 5.000 Vs À1 (largest peak currents shown in red). All scans initiated in the positive direction. Wave I is the oxidation and waves II, III and IV are reduction of (ClB)SubPc(F) 12 . Data of 0.100 V s À1 shown on graph.

Acknowledgments
This work has received support from the South African National Research Foundation (Grant numbers 113327 and 96111) and the Central Research Fund of the University of the Free State, Bloemfontein, South Africa. Data for 0.100 V/s shown in bold font.