Browsing by Author "Agirtas, Mehmet Salih"

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Antioxidant, Antimicrobial, Dna Cleavage, Fluorescence Properties and Synthesis of 4-(3,4,5 Phenoxy) Substituted Zinc Phthalocyanine
(Taylor & Francis Ltd, 2022) Agirtas, Mehmet Salih; Cabir, Beyza; Gonca, Serpil; Ozdemir, Sadin
The newly designed 4-(3,4,5-trimethoxybenzyloxy)phenoxy)phthalonitrile and zinc phthalocyanine compounds were synthesized. Fluorescence, degradation, aggregation, antioxidant, DNA cleavage, and antimicrobial properties of these compounds were investigated. Fluorescence, degradation, and aggregation properties were examined in different solvents. Suitable solvents were determined for the photophysical applications. Their dissolution in different solvents provides an advantage for applications. The ability to show emission spectra in different solvents provides the potential for use in applications. The antioxidant qualities of newly synthesized compounds were researched two methods by using free radical scavenging ability of DPPH and ferrous ion chelating ability. The maximum DPPH activity was observed by compound 5 causing 66.9% DPPH radical formation inhibition at 100 mg/L. Compound 4 showed strong ferrous ion chelating activity of 80.6% at concentration of 100 mg/L. All tested compounds showed good DNA cleavage activity at concentration of 150 mg/L. The compounds 4 and 5 showed good antimicrobial activity.
Characterization of Silver Nanoparticles Fabricated by Green Synthesis Using Urtica Dioica and Lavandula Angustifolia and Investigation of Antimicrobial and Antioxidant
(Taylor & Francis inc, 2024) Odemis, Omer; Ozdemir, Sadin; Gonca, Serpil; Agirtas, Mehmet Salih
Silver nanoparticles (AgNPs) was synthesized from Urtica dioica (UDANP) and Lavandula angustifolia (LAANP) plants. Silver nanoparticles obtained from green synthesis were characterized by UV-Vis, FTIR, SEM, TEM. The DPPH scavenging activities of UDANP were found as 73.58, 84.61, 100, 100, and 100% at 12.5, 25, 50, 100, and 200 mg/L, respectively. On the other hand, DPPH radical scavenging abilities of LAANP were determined as 62.56, 73.07, 78.71, 86.92, and 100% at 12.5, 25, 50, 100, and 200 mg/L, respectively. The ferrous chelating activities of LAANP were found as 7.96, 17.59, 29.45, 41.63, and 59.44% at 12.5, 25, 50, 100, and 200 mg/L, respectively. Besides UDANP was showed 73.58 and 84.61% metal chelating activity at 12.5 and 25 mg/L, respectively. The antimicrobial activity of UDANP and LAANP was performed using broth-dilution method. After the cell viability test of UDANP and LAANP, E. coli cell growth inhibited as 100%.
Co and Zn Metal Phthalocyanines With Bulky Substituents: Anticancer, Antibacterial Activities and Their Inhibitory Effects on Some Metabolic Enzymes With Molecular Docking Studies
(Taylor & Francis Ltd, 2022) Turkan, Fikret; Taslimi, Parham; Cabir, Beyza; Agirtas, Mehmet Salih; Erden, Yavuz; Celebioglu, Hasan Ufuk; Gulcin, Ilhami
In this study, we reported the synthesis of new cobalt and zinc phthalocyanine compounds with ((ethylenediamine-N,N',N'-triacetic acid-N-2-ethyl)oxy) (ETAEO) substituted groups. Characterization studies and anticancer properties of both synthesized compounds were determined as well. The inhibitory effects of these complexes on some metabolic enzymes were examined and it was observed that the enzymes inhibited by complex molecules at the micromolar levels. In addition, the active sites of the enzymes were determined by molecular modeling programme for screening the enzyme-inhibitor interactions. The molecular docking method was used to calculate the interactions of molecules with enzymes. Also, human prostate and breast cancer cell lines (PC-3 and MCF-7) were used to determine the anticancer properties of the complexes. All doses of the tetrakis (ETAEO) phthalocyaninato Cobalt II (1) did not show any significant changes in PC-3 cell viability, but significantly reduced in MCF-7 cell viability. Similarly, all doses of the tetrakis (ETAEO) phthalocyaninato zinc II (2) significantly reduced MCF-7 cell viability compared to the control and solvent control groups. According to the enzyme inhibition studies, both complexes showed the best inhibition effects for alpha-Glycosidase enzyme with 125.85 +/- 30.35 mu M and 165.30 +/- 27.18 mu M Ki values.
A Comparative Study on Dna Binding Properties of 2,10,16,24-Tetrakis 4-(4 Phenoxy)-Substituted Co(Ii) and Mg(Ii) Phthalocyanine Compounds
(Wiley-v C H verlag Gmbh, 2017) Arslantas, Ali; Agirtas, Mehmet Salih
In this study, DNA binding properties of 2,10,16,24-tetrakis4-(4-hydroxyphenyl)-1-phenylethyl)phenoxy)phthalocyaninato Co(II) and Mg(II) compounds were analyzed. CT-DNA was used to determine DNA binding properties of Co(II) (4) and Mg(II) (5) phthalocyanine compounds. The DNA binding properties of compounds 4 and 5 were investigated using electronic absorption titration, fluorescence spectroscopy, cyclic voltammetry, thermal denaturation study, electrophoresis and viscosity measurements in Tris-buffer (pH 7.0). The results indicated that Co(II) and Mg(II) phthalocyanine compounds have strong affinity for CT-DNA through intercalation.
Computational Dft Calculations, Photovoltaic Properties and Synthesis of (2r, 3s)-2, 3, 4-Trihydroxybutoxy Substituted Phthalocyanines
(Taylor & Francis inc, 2020) Cabir, Beyza; Yildiko, Umit; Agirtas, Mehmet Salih; Horoz, Sabit
In this study, 4-((2R, 3S)-2, 3, 4-trihydroxybutoxy) phthalonitrile was synthesized and characterized as starting material. This new starting material reacts with cobalt and copper metal salts to obtain metallophthalocyanine complexes. The electronic absorption of cobalt and copper phthalocyanine compounds in different concentrations of THF was investigated. In addition, the solubility and absorption of the compounds in different solvents were investigated. Density functional theory was also performed to support the relevant experimental results of the synthesized copper and cobalt center atomic compound. The photovoltaic performance of compounds was measured as current density-voltage (J-V).
Design of Novel Substituted Phthalocyanines; Synthesis and Fluorescence, Dft, Photovoltaic Properties
(Tubitak Scientific & Technological Research Council Turkey, 2020) Agirtas, Mehmet Salih; Solgun, Derya Gungordu; Yildiko, Umit; Ozkartal, Abdullah
The 4-(2[3,4-dimethoxyphenoxy] phenoxy) phthalonitrile was synthesized as the starting material of new syntheses. Zinc, copper, and cobalt phthalocyanines were achieved by reaction of starting compound with Zn(CH3 COO)(2), CuCl2, and CoCl2 metal salts. Basic spectroscopic methods such as nuclear magnetic resonance electronic absorption, mass and infrared spectrometry were used in the structural characterization of the compounds. Absorption, excitation, and emission measurements of the fluorescence zinc phthalocyanine compound were also investigated in THE. Then, structural, energy, and electronic properties for synthesized metallophthalocyanines were determined by quantum chemical calculations, including the DFT method. The bandgap of HOMO and LUMO was determined to be chemically active. Global reactivity (I, A, eta, s, mu, chi, omega) and nonlinear properties were studied. In addition, molecular electrostatic potential (MEP) maps were drawn to identify potential reactive regions of metallophthalocyanine (M-Pc) compounds. Photovoltaic performances of phthalocyanine compounds for dye sensitive solar cells were investigated. The solar conversion efficiency of DSSC based on copper, zinc, and cobalt phthalocyanine compounds was 1.69%, 1.35%, and 1.54%, respectively. The compounds have good solubility and show nonlinear optical properties. Zinc phthalocyanine gave fluorescence emission.
Development of 5,5′-Bi(1,10 Pvc Membrane Potentiometric Sensor for Silver Determination
(Wiley, 2025) Gungordu Solgun, Derya; Kaya, Nurcan; Saydan Kanberoglu, Gulsah; Agirtas, Mehmet Salih
In this study, the selectivity of the 5.5 '-bi(1,10-phenanthroline) Compound (1) against Ag+ ions as a chemical sensor was investigated by both absorption and potentiometric methods. First, a 1 x 10(-5) M solution of Compound (1) in acetonitrile was prepared. For the selectivity test, 1 x 10(-2) M solutions of metal ions in acetonitrile were prepared. UV-visible absorption measurements were performed by adding metal ions to a 5.5 '-bi(1,10-phenanthroline) compound at certain concentrations. Among the studied metal ions, it was found to be selective only against silver ions. In addition, solid-state contact polyvinylchloride (PVC) membrane electrodes prepared using 5.5 '-bi(1,10-phenanthroline) as an ionophore were found to be selective against Ag+ ions among other ions. The optimum membrane composition of the measurement was determined as 3% 5.5 '-bi(1,10-phenanthroline) + 32% PVC + 64% o-nitrophenyl octyl ether (o-NPOE) + 1% potassium tetrakis(4-chlorophenyl) borate (KTpClPB). The potentiometric properties of the silver selective electrode were determined as linear working range 1.0 x 10(-7)-1.0 x 10(-3) M, detection limit 1.0 x 10(-7) M, pH working range 3.23-9.08, and response time 3 s. Absorption and potentiometric methods confirm the selectivity towards silver ions. The IRC analysis of the silver-containing complex, performed using the DFT/B3LYP method with the LanL2DZ basis set, reveals an activation energy of approximately 0.002 Eh, with the transition state energy at -1.433173 Eh.
Dft Analysis and Electronic Properties, and Synthesis of Tetra (9-Phenyl Oxy Peripheral-Substituted Zinc Phthalocyanine
(Springer int Publ Ag, 2020) Solgun, Derya Gungordu; Keskin, Mehmet Salih; Yildiko, Umit; Agirtas, Mehmet Salih
The 4-((9-phenyl-9H-xanthene-9-yl) oxy) phthalonitrile compound was synthesized and characterized as starting material. Zinc phthalocyanine was obtained by reaction of 4-((9-phenyl-9H-xanthen-9-yl) oxy) phthalonitrile with Zn(CH3COO)(2). Novel compounds were characterized using mass spectra, UV-Vis spectroscopy, H-1-NMR, C-13 NMR, and infrared spectroscopy. The fluorescence, emission, excitation, and absorption spectra of the zinc phthalocyanine compound were studied in tetrahydrofuran (THF). The determination of these properties is very useful for photodynamic therapy applications. Also, zinc phthalocyanine (Zn-Pc) was optimized with the basic set of 6-311G and LanL2DZ of the Density functional theory (DFT). The energy band-gap HOMO-LUMO of the molecule was determined. Chemical indices were calculated using HOMO-LUMO energies. The electrophilic region and the nucleophilic region were defined from the molecular electrostatic potential (MESP) maps. Dipole moment components have been calculated and can be considered as potential candidates for the design of non-linear optical materials.
Dna Binding Studies of the 2,10,16,24-Tetrakis (phenoxy-3 Acid)phthalocyaninato) Co(Ii) and Cu(Ii) Compounds
(Springer int Publ Ag, 2020) Balli, Zekeriya; Arslantas, Ali; Solgun, Derya Gungordu; Agirtas, Mehmet Salih
Tetra phenoxy-3-methoxybenzoic acid substituted Co(II) and Cu(II) metal phthalocyanine compounds were reported for the first time. The structures of these compounds were elucidated by NMR, FT-IR, UV-vis spectroscopy, and elemental analysis. The UV/Vis, fluorescence spectra, viscosity and the thermal melting point techniques were implemented to analyze the DNA bonding activities of cobalt (II) and copper (II) complexes of phthalocyanine by calf thymus DNA. These techniques showed that the phthalocyanine complexes interacted with the DNA molecule through the intercalation mechanism. Additionally, among the methods above, the binding properties of DNA with the compounds 4 and 5 were studied by means of the agarose gel electrophoresis method. The complexes 4 and 5 bonded to the DNA molecule in the buffer system at a pH of 7.02. The findings of these methods proved that the Co(II) and Cu(II) complexes of phthalocyanine could be evaluated as potential cancer medicine for cancer treatment in the near future.
Effect of Silver Nanoparticles Prepared by Green Chemistry on the Photovoltaic Properties of Zinc Phthalocyanine
(Springer int Publ Ag, 2024) Odemis, Omer; Agirtas, Mehmet Salih; Solgun, Derya Gungordu; Ozkartal, Abdullah
The use of silver nanoparticles (AgNPs) produced from sustainable resources to improve photovoltaic properties of dye-sensitized solar cells is gaining interest due to the growing demand for clean and green energy sources. In this study, leaf (HY) and flower (HC) extracts of Golden Grass (Helichrysum italicum) were used to produce AgNPs with a low cost and easy method. The enhancement in power conversion efficiency by adding AgNPs phthalocyanine produced from biomaterials was investigated. The formation of AgNPs is indicated by a strong surface plasmon resonance (SPR) at 441 nm for HY-AgNPs and 448 nm for HC-AgNPs. Spherical AgNPs were formed with an estimated diameter of 22.59 +/- 0.71 nm for HY-AgNPs and 21.06 +/- 0.95 nm for HC-AgNs, both with a face center cubic crystal structure. On the other hand, the zinc phthalocyanine complex designed for dye-sensitized solar cells was synthesized and characterized. At the same time, the aggregation and fluorescence properties of zinc phthalocyanine were investigated. The photovoltaic properties of the phthalocyanine compound used in the study were examined without and with silver nanoparticle additives. With this doping, the power conversion efficiency percentage increased from 2.32 to 3.41 for HY-AgNPs and from 2.32 to 2.92 for HC-AgNPs. Evaluation of the results reveals that the phthalocyanine compound gains more efficient photovoltaic properties with the doping of AgNPs for dye-sensitized solar cells.
Fluorescence Properties in Different Solvents and Synthesis of Axially Substituted Silicon Phthalocyanine Bearing Bis-4 Units
(Walter de Gruyter Gmbh, 2020) Agirtas, Mehmet Salih
In this present study, a new axially bis-4-tritylphenoxy substituted silicon phthalocyanine compound was synthesized and characterized using infrared, mass, electronic absorption and nuclear magnetic resonance spectroscopy. Fluorescence and absorption spectra studies of the disubstituted silicon phthalocyanine complex were conducted on the chloroform, dimethyl formamide, dimethyl sulfoxide and tetrahydrofuran solutions. The findings of the fluorescence studies demonstrated that the compound has fluorescence spectra in the different solvents. The effects of the substitution with axially bis-4-tritylphenoxy functionalized groups on these parameters were also compared with the previously synthesized axially disubstituted silicon phthalocyanines. These results proved that the compound has different fluorescence properties in the different solvents.
High Hydrogen Production Rate From Potassium Borohydride Hydrolysis With an Efficient Catalyst: Cnt@ru(0)
(Elsevier Science inc, 2022) Keskin, M. Salih; Agirtas, Mehmet Salih; Baytar, Orhan; Izgi, M. Sait; Sahin, Omer; Horoz, Sabit
We describe the production and catalytic activity of a carbon nanotube supported-Ru(0) (CNT@Ru(0)) catalyst. For the first time, the produced CNT@Ru(0) catalyst is used to achieve the greatest hydrogen production rate from potassium borohydride (KBH4) hydrolysis. The produced CNT@ Ru(0) catalyst shows promise in the creation of hydrogen from the degradation of KBH4. The hydrogen generation rate of CNT@Ru(0) is determined to be 86,264.85 mL min(-1) can with a low activation energy of 30.18 kJ mol(-1). CNTs are potential support for distributing metal catalysts, according to the current work. Furthermore, structural, morphological, and elemental characteristics of the produced CNT@Ru(0) catalyst are investigated.
Hydrogen Production Performance and Kinetic Behavior From Sodium Borohydride Hydrolysis With Tio2-Supported Co-Mo Catalyst
(Springer Heidelberg, 2023) Keskin, Mehmet Salih; Agirtas, Mehmet Salih
In the study, a new catalyst was designed and synthesized by chemical reduction and precipitation method by impregnating the Co-Mo-B catalyst with different support materials (TiO2, Al2O3, and CeO2) in order to obtain fast hydrogen from sodium boron hydride hydrolysis. According to the support material, their catalytic activities were observed as Co-Mo-B@TiO2 > Co-Mo-B@CeO2 > Co-Mo-B@Al2O3 > Co-Mo-B. Other experimental studies were continued with the Co-Mo-B@TiO2 catalyst, which exhibited the strongest catalytic activity. BET, XRD, SEM, and EDX analyses were performed with the analytical method and their characteristics were determined. For sodium boron hydride hydrolysis of the catalyst, firstly, the optimum (Co/Mo and Co-Mo@TiO2) ratios were determined. The optimal % NaOH and NaBH4 mass concentrations, the amount of catalyst, and the effect of temperature on the hydrogen production rate were investigated. It was observed that the reaction time was shortened and the hydrogen production rate increased at 30-50 & DEG;C temperature. Kinetic parameters were calculated accordingly. The reaction rate order was determined as 0.62 from the nth order. The activation energy from the Arrhenius equation was be calculated as 40.106 kJ/mol. Hydrogen production rate at 30 & DEG;C was found to be 19.968 mL/min & BULL;g & BULL;cat.
Inquiries of Dna Interaction of Cobalt (Ii) Phthalocyanine Compound Bearing 4-Tritylphenoxy Groups
(Chem Soc Pakistan, 2024) Arslantas, Ali; Agirtas, Mehmet Salih
[Tetrakis-(4-tritylphenoxy) phthalocyaninato] Cobalt (II) (PcCo) was previously formed via the reaction of 4-(4-tritylphenoxy)phthalonitrile. The structure of the resulting PcCo was characterized using absorption spectra, infrared and NMR spectroscopies. The deoxyribonucleic acid (DNA) connecting feature for PcCo was inquired in the different concentration of Calf Thymus- deoxyribonucleic acid (CT-DNA) using UV/Vis, fluorescence spectroscopy, gel agarose electrophoresis and thermal denaturation methods. UV/Vis spectrometer and fluorescence spectroscopy verified PcCo bounds to the DNA and the binding constant (Kb) b ) of the PcCo was also calculated. The binding constant Kb b is a very important parameter for getting information on the binding mechanism. The Kb b of the compound was also calculated as 1.44 x 106 6 M-1.-1 . The value of Kb b demonstrated that the complex binds to DNA through an intercalative binding mechanism. Additionally, thermal denaturation and the electrophoresis studies were implemented to analyze the interacting of PcCo via CT-DNA. In the absence of the complex, the melting experiments were conducted for CT-DNA and Tm m was found 69.6 o C for the DNA and The Tm m of PcCo complex was found 76.3 o C. Melting point temperature and electrophoresis experiments demonstrated that PcCo binds to CT-DNA through intercalation binding mechanisms. The acquired findings confirmed that PcCo links to the DNA via the intercalating binding manner. Therefore, PcCo may have potential use in cancer treatment. Because of this, further research is needed before this complex can be used in cancer treatment.
The Interaction Between a Zinc(Ii) Phthalocyanine Compound Bearing Octakis Phenoxyacetamide Substituents and Calf Thymus Dna
(Tubitak Scientific & Technological Research Council Turkey, 2018) Arslantas, Ali; Agirtas, Mehmet Salih
In this study, a zinc(II) phthalocyanine compound (PcZn) substituted with octakis phenoxyacetamide was synthesized and characterized. Calf thymus DNA (CT-DNA) was used to determine the DNA binding properties of the zinc(II) phthalocyanine compound. This interaction of CT-DNA with PcZn was investigated using electronic absorption spectra, emission spectroscopy, a thermal melting temperature study, cyclic voltammetry, and viscosity measurements in a Tris-HCl buffer solution at a pH of 7.2. The findings showed that zinc(II) phthalocyanine interacts with calf thymus DNA via partial intercalative binding mechanisms. In addition to the techniques above, a gel electrophoresis study was also carried out to verify the interaction of CT-DNA with the PcZn complex. The results demonstrated that the octakis phenoxyacetamide-substituted zinc(II) phthalocyanine complex binds to CT-DNA via a partial intercalative binding mode.
Investigation of Dna Binding Activities of Peripherally 2,10,16,24-Tetrakis Dimethyl 5-(phenoxy) Ni(Ii) Phthalocyanine Complex
(Wiley-v C H verlag Gmbh, 2018) Arslantas, Ali; Agirtas, Mehmet Salih
Peripherally 2, 10, 16, 24-tetrakis dimethyl 5-(phenoxy)-isophthalate-substituted Ni(II) phthalocyanine compound (Pc7) was previously synthesized and characterized. In this work, calf thymus DNA was used to specify DNA binding activities of Ni(II) phthalocyanine compound. DNA binding properties of Pc7 were studied using absorption titration, fluorescense spectroscopy, thermal melting temperature study, cyclic voltametry in a Tris-HCl buffer solution. The results indicated that Pc7 can bind to CT-DNA molecule through partial intercalation binding mechanisms. In addition to above methods, agarose gel electrophoresis and viscosity measurement were also conducted to confirm DNA binding activities activities of Pc7. The results of these methods indicated that Ni(II) phthalocyanine compound adheres to CT-DNA partial intercalative binding mode. These results confirm that Ni(II) phthalocyanine compound may become potential therapeutic agent for cancerous cells due to its DNA binding features.
Investigation of Dna-Binding Activities of Zinc(Ii) and Cobalt(Ii) Phthalocyanine Compounds With 3,4,5-Trimethoxybenzyloxy Substituents
(Wiley-v C H verlag Gmbh, 2017) Arslantas, Ali; Agirtas, Mehmet Salih
In this study, DNA-binding activities of previously synthesized tetrakis(3,4,5-trimethoxybenzyloxy)-substituted Zn(II) and Co(II) phthalocyanines (Pc4 and Pc5) have been chosen for the study. The interaction of synthesized tetrakis(3,4,5-trimethoxybenzyloxy)-substituted Zn(II) and Co(II) phthalocyanine compounds with CT-DNA was investigated by using UV/Vis titrimetric method, fluorescence spectroscopy, cyclic voltammetry, thermal denaturation profile, gel electrophoresis and viscosty measurement in a Tris-HCI buffer at pH 7.0. The results indicated that tetrakis(3,4,5-trimethoxybenzyloxy)-substituted Zn(II) and Co(II) phthalocyanines (Pc4 and Pc5) can interact with CT-DNA via intercalation binding mode.
Methylene Blue Photocatalytic Degradation Under Visible Light Irradiation on Copper Phthalocyanine-Sensitized Tio2 Nanopowders
(Elsevier Science Bv, 2017) Cabir, Beyza; Yurderi, Mehmet; Caner, Nurdan; Agirtas, Mehmet Salih; Zahmakiran, Mehmet; Kaya, Murat
Described herein is a new photocatalytic material that shows remarkable catalytic performance in terms of activity and reusability in the photocatalytic degradation of methylene blue (MB) in water. The new catalyst system comprised of copper phthalocyanine modified titanium(IV) oxide (TiO2) nanopowders (CuPc-TiO2\) was prepared by the wet chemical impregnation method to improve the photocatalytic activity of TiO2 and characterized by the combination of various spectroscopic tools including ICP-OES, P-XRD, DR/UV-Vis, FTIR, FE-SEM, SEM-EDX, BFTEM, HRTEM and N-2-adsorption-desorption techniques. The photocatalytic performance of the resulting CuPc-TiO2 in terms of activity and stability was evaluated by the photocatalytic degradation of MB in aqueous solution under mild conditions. Our results revealed that CuPc-TiO2 photocatalyst displayed remarkable activity (TOF = 3.73 mol MB/(mol CuPc + mol TiO2) x h) in the complete (100%) photocatalytic degradation of MB under visible light irradiation (150 W). Moreover, CuPc-TiO2 photocatalyst showed excellent stability against to sintering and clumping throughout the reusability experiments and it retained >80% of its initial activity even at 5th reuse, which makes it reusable photocatalyst in the photocatalytic degradation of MB. (C) 2017 Elsevier B.V. All rights reserved.
A New Method for the Reaction of Cross-Coupling: Preparation of 5,5'-bi(1,10-phenanthroline)
(Walter de Gruyter Gmbh, 2017) Agirtas, Mehmet Salih
Synthesis and characterization of 5,5'-bi(1,10-phenanthroline) (3) are described. Compound 3 was obtained by treatment of 5-chloro-1,10-phenanthroline (1) with 4-hydroxy-phthalonitrile (2) in the presence of K (2) CO (3) as a base in DMF at room temperature for 25 h.
Photovoltaic Performance Properties, Dft Studies, and Synthesis of (e)-3 Acrylic Acid Substituted Phthalocyanine Complexes
(Springer int Publ Ag, 2021) Solgun, Derya Gungordu; Yildiko, Umit; Ozkartal, Abdullah; Agirtas, Mehmet Salih
In this study, firstly, a new phthalonitrile derivative was synthesized from the reaction of caffeic acid with phthalonitrile. Then, metal phthalocyanine complexes were obtained from the reaction of this phthalonitrile derivative with metal salts. Compounds were characterized by UV, NMR, IR and Mass spectroscopy methods. In addition, the fluorescence and electronic properties of the diamagnetic zinc phthalocyanine compound were investigated. The performances of dye-sensitized solar cells of compounds were examined. The calculated power conversion efficiencies (eta %) of the complexes using the obtained current density (J)-voltage (V) curves were determined that these compounds can be used as promising sensitizers in solar cell applications. The calculated power conversion efficiencies (% eta) of the complexes were found to be at a reasonable level. Molecular orbital properties such as HOMO-LUMO energy gap, Fermi Energies, state density spectrum, and molecular electrostatic potential surfaces were calculated for each phthalocyanine molecule. In addition, the amount of phthalocyanine required for ideal dye sensitivity was investigated.