Electrocatalytic behaviour of chalcone substituted Co, Cu, Mn and Ni phthalocyanines towards the detection of nitrite

Ndebele, Nobuhle; Nyokong, Tebello

doi:10.1016/j.jelechem.2022.116951

Cited by 8 publications

(4 citation statements)

References 59 publications

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“…It was shown that, among these phthalocyanines, FePc and CoPc had maximal energies for binding with NO. Similar to gaseous sensors, Ndebele and Nyokong showed in their work [ 19 ] that glassy carbon electrode modified with cobalt phthalocyanine derivatives displayed the best electrocatalytic activity for nitrite detection among other MPcs (M = Co, Cu, Mn, Ni). Considering these properties of cobalt and iron phthalocyanines, as well as the low time and the reversibility of the sensor response of phthalocyanine-based sensors at room temperature, these compounds were chosen as the subject of this study.…”

Section: Introductionmentioning

confidence: 97%

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Cobalt and Iron Phthalocyanine Derivatives: Effect of Substituents on the Structure of Thin Films and Their Sensor Response to Nitric Oxide

et al. 2023

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In this work, we study the effect of substituents in cobalt(II) and iron(II) phthalocyanines (CoPcR4 and FePcR4 with R = H, F, Cl, tBu) on the structural features of their films, and their chemi-resistive sensor response to a low concentration of nitric oxide. For the correct interpretation of diffractograms of phthalocyanine films, structures of CoPcCl4 and FePcCl4 single crystals were determined for the first time. Films were tested as active layers for the determination of low concentrations of NO (10–1000 ppb). It was found that the best sensor response to NO was observed for the films of chlorinated derivatives MPcCl4 (M = Co, Fe), while the lowest response was in the case of MPc(tBu)4 films. FePcCl4 films exhibited the maximal response to NO, with a calculated limit of detection (LOD) of 3 ppb; the response and recovery times determined at 30 ppb of NO were 30 s and 80 s, respectively. The LOD of a CoPcCl4 film was 7 ppb. However, iron phthalocyanine films had low stability and their sensitivity to NO decreased rapidly over time, while the response of cobalt phthalocyanine films remained stable for at least several months. In order to explain the obtained regularities, quantum chemical calculations of the binding parameters between NO and phthalocyanine molecules were carried out. It was shown that the binding of NO to the side atoms of phthalocyanines occurred through van der Waals forces, and the values of the binding energies were in direct correlation with the values of the sensor response to NO.

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Section: Introductionmentioning

confidence: 97%

“…However, a large number of works are devoted to the determination of NO metabolites (viz. NO 2 2− , NO 3 2− ) in aqueous media by various electrochemical methods [ 15 , 16 , 17 , 18 , 19 ].…”

Section: Introductionmentioning

confidence: 99%

Cobalt and Iron Phthalocyanine Derivatives: Effect of Substituents on the Structure of Thin Films and Their Sensor Response to Nitric Oxide

et al. 2023

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“…Phthalocyanines (Pcs) represent a class of aromatic macrocyclic organic compounds characterized by the molecular formula C 32 H 18 N 8 . Their distinct attributes encompass remarkable thermal and chemical stability, coupled with favorable electrical and optical properties, primarily attributed to their extensive electronic π-conjugated system [12,13].…”

Section: Introductionmentioning

confidence: 99%

DFT-D3 and TD-DFT Studies of the Adsorption and Sensing Behavior of Mn-Phthalocyanine toward NH3, PH3, and AsH3 Molecules

Badran,

Eid,

Al-Nadary

et al. 2024

Molecules

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This study employs density functional theory (DFT) calculations at the B3LYP/6-311+g(d,p) level to investigate the interaction of XH3 gases (X = N, P, As) with the Mn-phthalocyanine molecule (MnPc). Grimme’s D3 dispersion correction is applied to consider long-range interactions. The adsorption behavior is explored under the influence of an external static electric field (EF) ranging from −0.514 to 0.514 V/Å. Chemical adsorption of XH3 molecules onto the MnPc molecule is confirmed. The adsorption results in a significant decrease in the energy gap (Eg) of MnPc, indicating the potential alteration of its optical properties. Quantum theory of atoms in molecules (QTAIM) analysis reveals partially covalent bonds between XH3 and MnPc, and the charge density differenc (Δρ) calculations suggest a charge donation-back donation mechanism. The UV-vis spectrum of MnPc experiences a blue shift upon XH3 adsorption, highlighting MnPc’s potential as a naked-eye sensor for XH3 molecules. Thermodynamic calculations indicate exothermic interactions, with NH3/MnPc being the most stable complex. The stability of NH3/MnPc decreases with increasing temperature. The direction and magnitude of the applied electric field (EF) play a crucial role in determining the adsorption energy (Eads) for XH3/MnPc complexes. The Eg values decrease with an increasing negative EF, which suggests that the electrical conductivity (σ) and the electrical sensitivity (ΔEg) of the XH3/MnPc complexes are influenced by the magnitude and direction of the applied EF. Overall, this study provides valuable insights into the suggested promising prospects for the utilization of MnPc in sensing applications of XH3 gases.

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“…Metal phthalocyanines (MPcs) are highly conjugated cyclic molecules that consist of four isoindole units linked by nitrogen atoms to a central metal. Since the discovery of phthalocyanines as dyes in 1907, 1 their popularity has increased due to their semiconducting, optical and electrochemical properties, thermal stability and chemical inertness, as well as non-toxicity, which led to their use in medicine, [2][3][4] photocatalysis, [5][6][7] catalysis, 8,9 in solar cells, 10,11 and other fields. Another important area of application of phthalocyanines is chemical sensing.…”

Section: Introductionmentioning

confidence: 99%

Films of substituted zinc phthalocyanines as active layers of chemiresistive sensors for ammonia detection

Ivanova,

Klyamer,

Tunç

et al. 2023

New J. Chem.

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Electrocatalytic behaviour of chalcone substituted Co, Cu, Mn and Ni phthalocyanines towards the detection of nitrite

Cited by 8 publications

References 59 publications

Cobalt and Iron Phthalocyanine Derivatives: Effect of Substituents on the Structure of Thin Films and Their Sensor Response to Nitric Oxide

Cobalt and Iron Phthalocyanine Derivatives: Effect of Substituents on the Structure of Thin Films and Their Sensor Response to Nitric Oxide

DFT-D3 and TD-DFT Studies of the Adsorption and Sensing Behavior of Mn-Phthalocyanine toward NH3, PH3, and AsH3 Molecules

Films of substituted zinc phthalocyanines as active layers of chemiresistive sensors for ammonia detection

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