Low-Symmetry Phthalocyanines Bearing Carboxy-Groups
- Bunin, Dmitry A, Ndebele, Nobuhle, Martynov, Alexander G, Mack, John, Gorbunova, Yulia G, Nyokong, Tebello
- Authors: Bunin, Dmitry A , Ndebele, Nobuhle , Martynov, Alexander G , Mack, John , Gorbunova, Yulia G , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/231262 , vital:49870 , xlink:href="https://doi.org/10.3390/molecules27020524" "
- Description: The synthesis and characterization of A3B-type phthalocyanines, ZnPc1–4, bearing bulky 2,6-diisopropylphenoxy-groups or chlorine atoms on isoindoline units “A” and either one or two carboxylic anchors on isoindoline unit “B” are reported. A comparison of molecular modelling with the conventional time dependent—density functional theory (TD-DFT) approach and its simplified sTD-DFT approximation provides further evidence that the latter method accurately reproduces the key trends in the spectral properties, providing colossal savings in computer time for quite large molecules. This demonstrates that it is a valuable tool for guiding the rational design of new phthalocyanines for practical applications.
- Full Text:
- Authors: Bunin, Dmitry A , Ndebele, Nobuhle , Martynov, Alexander G , Mack, John , Gorbunova, Yulia G , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/231262 , vital:49870 , xlink:href="https://doi.org/10.3390/molecules27020524" "
- Description: The synthesis and characterization of A3B-type phthalocyanines, ZnPc1–4, bearing bulky 2,6-diisopropylphenoxy-groups or chlorine atoms on isoindoline units “A” and either one or two carboxylic anchors on isoindoline unit “B” are reported. A comparison of molecular modelling with the conventional time dependent—density functional theory (TD-DFT) approach and its simplified sTD-DFT approximation provides further evidence that the latter method accurately reproduces the key trends in the spectral properties, providing colossal savings in computer time for quite large molecules. This demonstrates that it is a valuable tool for guiding the rational design of new phthalocyanines for practical applications.
- Full Text:
Electrocatalytic Activity of Cobalt Phthalocyanines Revisited: Effect of the Number of Oxygen Atoms and Conjugation to Carbon Nanomaterials
- Ndebele, Nobuhle, Mgidlana, Sithi, Nyokong, Tebello
- Authors: Ndebele, Nobuhle , Mgidlana, Sithi , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185700 , vital:44416 , xlink:href="https://doi.org/10.1007/s12678-021-00670-x"
- Description: The synthesis and characterization of tetrakis[4(4-acetlyphenoxy)phthalocyanato] cobalt (II) (1) are presented. Complex 1 together with the reported tetrakis dimethyl 5-(phenoxy)-isophthalatephthalocyaninato] cobalt (II) (2) are conjugated to carbon-based nanomaterials: graphene quantum dots (GQDs) and single-walled carbon nanotubes (SWCNTs) via π-π stacking, taking advantage of the π electrons on the graphitic structure of the nanomaterial as well as on the aromatic rings of the Co phthalocyanines (CoPcs). The electrocatalytic behaviour of the CoPcs, GQDs, SWCNTs and their respective conjugates towards the electrochemical oxidation of catechol was studied. The electrocatalytic probes were drop-dried onto the electrode surface of the glassy carbon electrode (GCE). The electrochemical oxidation of catechol was studied using cyclic voltammetry, electrochemical impedance spectroscopy and chronoamperometry. Complex 2 when linked to GQDs gave the lowest oxidation peak potentials of 0.33 V. Low catechol detection limits (LOD) of 0.057 µM was obtained for complex 2 with SWCNT. Thus, complex 2 containing more oxygen atoms outperformed complex 1 with less oxygen atoms. The CoPcs on their own showed moderate electrocatalytic behaviour, hence showing the importance of conjugating them to the carbon nanomaterials. SWCNT-based electrodes performed better than GQDs, and an improvement in the LoDs, sensitivity and the catalytic rate was observed upon conjugation.
- Full Text:
- Authors: Ndebele, Nobuhle , Mgidlana, Sithi , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185700 , vital:44416 , xlink:href="https://doi.org/10.1007/s12678-021-00670-x"
- Description: The synthesis and characterization of tetrakis[4(4-acetlyphenoxy)phthalocyanato] cobalt (II) (1) are presented. Complex 1 together with the reported tetrakis dimethyl 5-(phenoxy)-isophthalatephthalocyaninato] cobalt (II) (2) are conjugated to carbon-based nanomaterials: graphene quantum dots (GQDs) and single-walled carbon nanotubes (SWCNTs) via π-π stacking, taking advantage of the π electrons on the graphitic structure of the nanomaterial as well as on the aromatic rings of the Co phthalocyanines (CoPcs). The electrocatalytic behaviour of the CoPcs, GQDs, SWCNTs and their respective conjugates towards the electrochemical oxidation of catechol was studied. The electrocatalytic probes were drop-dried onto the electrode surface of the glassy carbon electrode (GCE). The electrochemical oxidation of catechol was studied using cyclic voltammetry, electrochemical impedance spectroscopy and chronoamperometry. Complex 2 when linked to GQDs gave the lowest oxidation peak potentials of 0.33 V. Low catechol detection limits (LOD) of 0.057 µM was obtained for complex 2 with SWCNT. Thus, complex 2 containing more oxygen atoms outperformed complex 1 with less oxygen atoms. The CoPcs on their own showed moderate electrocatalytic behaviour, hence showing the importance of conjugating them to the carbon nanomaterials. SWCNT-based electrodes performed better than GQDs, and an improvement in the LoDs, sensitivity and the catalytic rate was observed upon conjugation.
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