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:
- Date Issued: 2022
- 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:
- Date Issued: 2022
The Electrocatalytic Detection of Nitrite Using Manganese Schiff Base Phthalocyanine Complexes
- Ndebele, Nobuhle, Nyokong, Tebello
- Authors: Ndebele, Nobuhle , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/295856 , vital:57385 , xlink:href="https://doi.org/10.1007/s12678-022-00752-4"
- Description: This work investigates the use of manganese phthalocyanines (MnPcs) in the electrochemical detection of nitrite. These are two Schiff base derivatives: tetrakis 4-(4-thio-thiophene-2-ylmethanamino) phthalocyaninato Mn(III)Cl (2) and tetrakis 4-(3-(pyrrolidine-1-yl)propan-1-amino)phthalocyaninato Mn(III)Cl (3) and one aldehyde: tetrakis(4-formylphenoxy)phthalocyaninato Mn(III)Cl (1). The MnPc complexes were adsorbed onto the glassy carbon electrode surface using the drop-dry method and used as electrocatalysts to detect nitrite. Nitrite oxidation peak potentials obtained using cyclic voltammetry ranged between 0.70 and 0.84 V. Detection limits as low as 0.16 µM and sensitivity values as high as 276 µMmM−1 were obtained through the use of chronoamperometry. The Schiff base MnPcs 2 and 3 exhibited better nitrite detection properties (in terms of limit of detection and sensitivity) than their aldehyde precursor (1).
- Full Text:
- Date Issued: 2022
- Authors: Ndebele, Nobuhle , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/295856 , vital:57385 , xlink:href="https://doi.org/10.1007/s12678-022-00752-4"
- Description: This work investigates the use of manganese phthalocyanines (MnPcs) in the electrochemical detection of nitrite. These are two Schiff base derivatives: tetrakis 4-(4-thio-thiophene-2-ylmethanamino) phthalocyaninato Mn(III)Cl (2) and tetrakis 4-(3-(pyrrolidine-1-yl)propan-1-amino)phthalocyaninato Mn(III)Cl (3) and one aldehyde: tetrakis(4-formylphenoxy)phthalocyaninato Mn(III)Cl (1). The MnPc complexes were adsorbed onto the glassy carbon electrode surface using the drop-dry method and used as electrocatalysts to detect nitrite. Nitrite oxidation peak potentials obtained using cyclic voltammetry ranged between 0.70 and 0.84 V. Detection limits as low as 0.16 µM and sensitivity values as high as 276 µMmM−1 were obtained through the use of chronoamperometry. The Schiff base MnPcs 2 and 3 exhibited better nitrite detection properties (in terms of limit of detection and sensitivity) than their aldehyde precursor (1).
- Full Text:
- Date Issued: 2022
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