Properties Of Zinc Phthalocyanines Research Articles

Effect of Solvent and Catalyst Types on Stability and Properties of Zinc Phthalocyanine in the Organic–Inorganic Hybrid Materials

Hybrid materials, i.e., the organically modified silicates (ORMOSIL) based on zincphthalocyanine (ZnPc) and silica glass matrix were synthesized by the sol-gel method using protic solvents (methanol, ethanol, isopropanol, butanol) and aprotic solvent (N,N-dimethylformamide; DMF). The effect of an alkaline environment with NaOH addition (a single-stage process) and acid–alkaline environment with CH3COOH-NH4OH and HCl-NaOH (a two-stage process) was analyzed. UV-Vis spectroscopy was used to study the stability of ZnPc in the sol. The highest stability of zinc phthalocyanine in the glass was obtained for synthesis with isopropanol in the presence of the alkaline catalyst. The lowest stability of ZnPc was observed when the aprotic solvent was used. The structure and optical properties of the gels were studied by SEM, FTIR, and XRD techniques and optically stimulated luminescence (OSL) and thermoluminescence (TL), respectively. The thermal stability of the materials was analyzed by TG-DSC methods.

DFT and TDDFT Study of 4-((Furan-2-Ylmethyl)Sulfonyl)-Substituted ZINC(II) Phthalocyanine: Importance of Grimme Dispersion with A Becke–Johnson Damping Correction and the Substituent Effect

In this work, we report a theoretical study on the structural, vibrational, and electronic properties of 4-((furan-2-ylmethyl)sulfonyl)-substituted zinc(II) phthalocyanine. We start to study the performance of DFT functionals for the unsubstituted systems using the B97D3, B3LYP, M06-2X, PBE1PBE, and BMK functionals. The B97D3 functional with a dispersion correction is in good agreement with the theoretical and experimental results, which suggests that the D3 dispersion plays an essential role in the study of different properties of zinc phthalocyanine. Using the B97D3 functional with def2 TZVP for Zn and 6-311+G(d,p) for the other atoms, we determine the structural, vibrational, and electronic properties of 4-((furan-2-ylmethyl)sulfonyl)-substituted zinc(II) phthalocyanine. We notice that the HOMO is localized on both substituent and zinc(II) phthalocyanine but the LUMO is the same as in the unsubstituted compound. This demonstrates a higher absorption wavelength in agreement with the experimental results of this substituted system.

Zinc Phthalocyanine-Poly (Vinyl Alcohol) nanocomposite films: Low threshold optical limiting properties based on third-order nonlinear absorption response

In this article, we discuss on an in-depth study of the structure and morphology as well as optical (linear/nonlinear) properties of Zinc Phthalocyanine (ZnPc) - Poly (Vinyl Alcohol) (PVA) nanocomposite films. An investigation into the third-order nonlinear absorption properties of the nanocomposite films of ZnPc-PVA system, on excitation with low power continuous wave (CW) laser light at 632.8 nm, for different concentrations of the ZnPc content and at different input intensities, is presented. In these nanocomposites, a transition from Saturable Absorption (SA) to Reverse Saturable Absorption (RSA) was observed, on either increasing fluence or ZnPc content. The estimated values of the effective coefficients of nonlinear absorption (β) and imaginary third-order nonlinear susceptibility (Imχ(3)) are better than those reported ones. Furthermore, the optical limiting action of these samples is demonstrated. The results suggest that the nanoclustered organic chromophores are dispersed uniformly in the voids/free volumes available between the PVA chains. Standing on these points, it may be noted that the newly fabricated ZnPc-PVA nanocomposite films, which possess excellent surface homogeneity, high laser damage threshold, improved thermal and photostability, and prolonged lifespan (five years or more!), represent an efficient low threshold NLO material with significant potential applications in optoelectronic and photonic devices.

DFT and TDDFT study of 4-((furan-2-ylmethyl)sulfonyl)-substituted zinc(II) phthalocyanine: importance of Grimme dispersion with a Becke—Johnson damping correction and the substituent effect

In this work, we report a theoretical study on the structural, vibrational, and electronic properties of 4-((furan-2-ylmethyl)sulfonyl)-substituted zinc(II) phthalocyanine. We start to study the performance of DFT functionals for the unsubstituted systems using the B97D3, B3LYP, M06-2X, PBE1PBE, and BMK functionals. The B97D3 functional with a dispersion correction is in good agreement with the theoretical and experimental results, which suggests that the D3 dispersion plays an essential role in the study of different properties of zinc phthalocyanine. Using the B97D3 functional with def2TZVP for Zn and 6-311+G(d,p) for the other atoms, we determine the structural, vibrational, and electronic properties of 4-((furan-2-ylmethyl)sulfonyl)-substituted zinc(II) phthalocyanine. We notice that the HOMO is localized on both substituent and zinc(II) phthalocyanine but the LUMO is the same as in the unsubstituted compound. This demonstrates a higher absorption wavelength in agreement with the experimental results of this substituted system.

Synthesis and photophysical properties of zinc phthalocyanines substituted with quinolinoxy group

The synthesis of tetrasubstituted zinc phthalocyanines bearing quinolinoxy groups are reported for the first time. The new compounds have been characterized by elemental analysis, IR, MS and electronic spectroscopy. The photophysical properties, such as the electronic absorption spectra and fluorescence spectra, have also been investigated and discussed together with the influence of substituent position and organic solvents on these properties. The introduction of quinolinoxy group to the Pc ring was found to affect these photophysical properties to some extent.

Preparation and magnetic properties of zinc phthalocyanines homogeneously doped with alkaline metals

A method for preparation of homogeneous samples of metal-phthalocyanines doped with alkaline metals was developed. Polycrystalline samples of zinc phthalocyanines doped with sodium, potassium, and rubidium atoms were investigated. We measured the temperature dependence of ESR spectra of prepared samples and studied their composition and structure. It is shown that their magnetic properties depend strongly on the degree of doping as well as on the subsequent grinding and annealing.

Synthesis and Absorption Properties of Zinc-Phthalocyanines with Photorespon- sive Azobenzene Groups

The phthalocyanines (1) and (2) with eight photoisomerizable azobenzene groups have been synthesized and spectroscopically characterized. These macrocycles exhibit partial trans-cis isomerzation properties upon irradiation of UV/VIS light.

Electrochromic Properties of Zinc Phthalocyanine with Solid Electrolyte

Electrochromic Properties of Zinc Phthalocyanine with Solid Electrolyte