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We present the CAM (Coulomb Attenuated Method)-B3LYP functional tuned for excitation energies and properties of diarylethene derivatives in the time-dependent density functional theory (TD-DFT) scheme. The CAM-B3LYP parameters are tuned so as to well reproduce the experimental excitation energies and properties of a prototypical diarylethene derivative. The TD-DFT method with the tuned CAM-B3LYP parameters...
Density functional theory (DFT) approach was used to study the photodegradation of Carbofuran in aqueous medium. This computational method enables us to assign the electronic transitions and interpret the dissociative behavior upon irradiation based on a thermodynamical analysis of the bond dissociation energies (BDE) of Carbofuran. According to these calculations, phenoxy CO bond appears weaker than...
With the quaternized derivatives (4a and 5a), the synthesis of new Zn(II) and Co(II) phthalocyanines (4 and 5) substituted with 2-(azepan-1-yl)ethoxy moieties are reported. Photochemical and photophysical properties of quaternized Zn(II) and Co(II) phthalocyanines (4a and 5a) are investigated in both dimethyl sulfoxide (DMSO) and water, while non ionic derivatives in DMSO only. General trends are...
pH dependence of the fluorescence decay profile of enhanced yellow fluorescent protein (EYFP) depends on the excitation wavelength. The correlation between the fluorescence lifetime and pH in solution is discussed in terms of the acid–base equilibrium of the chromophore of EYFP. Fluorescence lifetime images of EYFP in HeLa cells have also been measured at various values of intracellular pH. A remarkable...
Vertically aligned arrays of single walled carbon nanotubes (SWNTs) were chemically attached to an optically transparent electrode of fluorine doped tin oxide (FTO) for use as a working electrode in a photoelectrochemical solar cell. 7,14-Bis[2-[tris(1-methylethyl)silyl]ethynyl]dibenzo[b,def]chrysene (TIPS-DBC) layers were deposited onto the SWNT/FTO electrodes via spin coating. The photovoltaic properties...
A novel perylene diimide dye containing glucopyranosyl groups in 1- and 7-positions of the perylene ring has been synthesized and characterized to obtain highly efficient and stable photosensitized material in photodynamic therapy. Solvatochromic studies on this dye in solvents of different polarities have indicated that absorption bands of the dye cover the whole visible spectrum in more polar organic...
Thin films of the mixed ZnO–SnO 2 system were obtained by employing the sol–gel technique, starting from the mixture of zinc oxide and tin oxide precursor solutions. The tin atomic concentration percentages (X) in the precursor solutions with respect to the ZnO+SnO 2 total growing solution were: 0, 10, 20, 30, 40 and 100at.%, here, the ZnO atomic percentage is (100–X). The films were...
Large area thin films of Cu 2 ZnSnS 4 (CZTS) have been successfully deposited by a novel low cost chemical synthesis route. These CZTS films are characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), electrical, wettability and optical absorption techniques. The XRD analyses revealed the formation of polycrystalline CZTS thin films with tetragonal crystal...
Solvent-dependent luminescence of Eu(III) complexes composed of oxo-linked bidentate phosphine oxide ligands, 4,5-bis(diphenylphosphoryl)-9,9-dimethylxanthene (xantpo), 4,5-bis(di-tert-butylphosphoryl)-9,9-dimethylxanthene (tBu-xantpo) and low-vibrational frequency hexafluoroacetylacetonato (hfa) ligands is reported. The Eu(III) complexes, Eu(hfa) 2 (xantpo) 2 and Eu(hfa) 3 ...
The interactions of two anionic aluminum phthalocyanines (Pcs), the tetrasulfonated (AlPcS 4 ) and the monosulfonated (AlPcS 1 ) species, with the cationic detergent n-dodecyltrimethylammonium chloride (DTAC) were investigated. These studies were performed by UV–visible absorption, steady-state and transient-state fluorescence, fluorescence lifetime imaging microscopy (FLIM), and fluorescence...
The lipophilic tetrasubstituted sensitizer 2,9(10),16(17),23(24)-tetrakis-(1-adamantylsulfanyl)phthalocyaninatozinc(II) (ZnPc) was incorporated into different liposomal formulations in order to evaluate its photophysical properties, as well as the size, incorporation efficiency, thermotropic properties and stability of liposomes during a time period. Liposomes were prepared by the thin-layer evaporation...
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