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Metallo-phthalocyanines (MPcs) are macrocycles of synthetic origin that are highly conjugated and planar, with high absorption in the ultraviolet–visible region. When combined with nanomaterials such as graphene, they offer the possibility of developing systems for nanobiotechnology. In this work, the modifications arising from the incorporation of the transition metals Fe, Mn, and Cu into the Pc structure, forming MPcs, are evaluated using first principles calculations. These metals are observed to interact strongly with Pc to form stable complexes. The interaction of graphene with MPc was then studied to understand the energetic, magnetic, and structural properties of these structures, which may help in the use of these nanomaterials in future biomedical applications. From the results, we can observe that depending on the metal introduced into MPc, different values ​​are found for the charge transfer and spin polarisation between the systems; however, each complex shows weak interaction between graphene and MPc, suggesting physical adsorption. [ABSTRACT FROM AUTHOR]

Colloidal metallic nanoparticles have attracted a lot of interest in the last two decades owing to their simple synthesis and fascinating optical properties. In this manuscript, a study of the effect of both gold nanoparticles (Au NPs) and silver nanoparticles (Ag NPs) on the fluorescence emission (FE) of TPPS has been investigated utilizing steady-state fluorescence spectroscopy and UV–Vis spectrophotometry. From the observed electronic absorption spectra, there is no evidence of the ground state interaction between metallic Au NPs or Ag NPs with TPPS. On the other side, the FE spectra of TPPS have been quenched by both Ag and Au NPs. Via applying quenching calculations, Ag NPs showed only traditional static fluorescence quenching of TPPS with linear Stern–Volmer (SV) plots. On the contrary, quenching of TPPS emission by Au NPs shows composed models. One model is the sphere of action static quenching model that prevails at high quencher concentrations leading to non-linear SV plots with positive deviation. However, at low Au NPs concentrations, traditional dynamic quenching occurs with linear SV plots. The quantum calculations for TPPS structure have been obtained using Gaussian 09 software: in which the TPPS optimized molecular structure was achieved using DFT/B3LYP/6-311G (d) in a gaseous state. Also, the calculated electronic absorption spectra for the same molecule in water as a solvent are obtained using TD/M06/6-311G + + (2d, 2p). Furthermore, the theoretical and experimental results comparable to UV–Vis spectra have been investigated. [ABSTRACT FROM AUTHOR]

A new π electron rich zinc complex was used as a fluorescent material in organic light-emitting diodes (OLEDs). Devices with a structure of indium tin oxide/poly (3,4-ethylenedi-oxythiophene):poly(styrenesulfonate) (PEDOT: PSS) (50 nm)/polyvinylcarbazole (60 nm)/Zn: %2 porphyrin derivatives (45 nm)/Al (150 nm) were fabricated. Porphyrin derivatives accounting for 2 wt.% in the π electron rich zinc complex were used as a host. The electroluminescence (EL) spectra of porphyrin derivatives indicated a red shift, as π electron rich zinc complex EL spectra. The device (4) has also a luminance of 3420 cd/m and maximum efficiency of 1.58 cd/A at 15 V, which are the highest values among four devices. The result of Commission International del'Eclairage (CIE) (X, Y) coordinate and EL spectrum of device (3) indicated that it is more red shifted compared to other devices. Results of this work indicate that π electron rich zinc complex is a promising host material for high efficiency red OLEDs and has a simple structure compared to Alq-based devices. [ABSTRACT FROM AUTHOR]

Two porphyrin derivatives with different substituents were investigated as dyes for the titanium dioxide (TiO) film electrode to construct new two-compartment photoelectrochemical biofuel cells (PEBFCs). The two porphyrin derivatives were tetrakis(4-carboxyphenyl)porphyrin (TCPP) and meso-tetra( p-hydroxyphenyl)porphine (THPP). To determine how cell performance was affected by the dye with different substituents, we analyzed the photochemical and photoelectrochemical properties of the two dyes by physical characterization and photoelectrochemical experiments. The UV-Vis absorption spectra and X-ray photoelectron spectra indicated that the interactions between the dye and TiO decreased in the order of TCPP > THPP, which was also in accord with the results of Fourier transform infrared. In addition, TCPP and THPP were calculated using the density functional theory and the time-dependent density functional theory, and the calculation result exhibited that the radiative lifetime decreased in the order of TCPP > THPP. Compared with THPP, TCPP with longer excited-state was expected to enhance the performance of a PEBFC. We measured and compared the incident photon-to-collected electron conversion efficiency and the light-to-electrical conversion efficiency (η) of the porphyrin-sensitized photoelectrochemical biofuel cell. The photovoltaic characteristics showed the TCPP was more effective compared to the THPP, which obviously showed that the experimental results were consistent with theoretical expectation. These results revealed that the kind of the substituent for the porphyrin influenced the photovoltaic properties of the PEBFC. [ABSTRACT FROM AUTHOR]

This article deals with results concerning the study of interacting dyes which are able to create weak interdimers. Two groups of organic systems: phthalocyanines (di-ethanol-amine and di-octane-amine) and pyridyl porphyrins (zinc, copper, and free-base) covalently linked to polyethylene glycol (PEG) in water and organic solvents (dioxane, dimethylsulfoxide) were investigated. Absorption, fluorescence, and photoacoustics were used as experimental methods but particular attention was paid to light-induced optoacoustic spectroscopy to follow the dye's triplet population and triplet thermal relaxation to study intermolecular interactions. It has been shown that even the weak interactions of the organic dyes under study is not detectable by absorption and only slightly by fluorescence is it possible to follow interactions by complementary photothermal methods. The results obtained for selected phthalocyanines and covalent porphyrin-polymer samples evidently show that the light-induced optoacoustic experiment is a perfect tool in the detection of weakly interacting aggregates. [ABSTRACT FROM AUTHOR]

A novel water-soluble tetraarylporphyrin-containing polymer has been synthesized by the reaction of bromoalkyl-containing poly( N-isopropylacrylamide) with 5-(4-pyridyl)-10,15,20-tri(4-methoxyphenyl)porphyrin. Some physicochemical properties of the obtained polymers are reported. It has been shown that a strong interaction between the porphyrin units takes place in liquid aqueous medium at temperatures below the lower critical solution temperature (LCST). This phenomenon results in considerable broadening of the Soret band in the absorption spectrum and in strong quenching of fluorescence. Higher than LCST fluorescence enhancement is observed. [ABSTRACT FROM AUTHOR]