two organic compounds (sc-23=(e)-2-cyano-3-(2,3-dimethoxyphenyl) acrylic acid and sc-25=(e)-2-cyano-3-(2,5-dimethoxyphenyl) acrylic acid) involving methoxy groups as the electron donor and cyanoacrylic acid group as the electron acceptor have been investigated for dye sensitized solar cells. they shows a short-circuit current density (jsc) of 2.08 and 1.81 ma cm-2, an open circuit voltage (voc)...

Three heterocyclic dyes were synthesized having in mind the changes photovoltaic, optical and redox properties by functionalization of 5-aryl-thieno[3,2-b]thiophene, 5-arylthiophene bis-methylpyrrolylthiophene π-bridges with different donor, acceptor/anchoring groups. Knoevenagel condensation aldehyde precursors 2-cyanoacetic acid was used to prepare donor-acceptor functionalized molecules. The...

Trinuclear cyclopentadienylniobium carbonyls are of interest since Cp3Nb3(CO)7 (Cp=eta5-C5H5) is a stable molecule having a unique face-bridging carbonyl group formally donating six electrons to the Nb3 triangle through one Nb-C sigma-bond and two orthogonal pi-bonds. In this connection, the molecules Cp3Nb3(CO)n (n=9, 8, 7, 6) have been examined by density functional theory. The saturated deri...

A series of meso arylethynyl BODIPYs (2a-2h) were designed and synthesized by the Pd-catalyzed Sonogashira cross-coupling reaction. The effects of the donor on the photophysical properties of the BODIPYs were explored. The DFT optimized structures and crystal structures show the planar orientation of the donor group with respect to the acceptor BODIPY, which favors a high degree of conjugation ...

Photoinduced electron transfer (PET) has been investigated in organized monolayers at the air-water interface and in monolayer assemblies on glass in an effort to evaluate the influence of solvent reorganization and molecular dynamics on PET. The donor monolayer contained an amphiphilic thiacyanine dye, and the electron acceptors were methyl viologen and dioctadecyl viologen, respectively. The ...

Density functional theory calculations on melatonin, metabolites and synthetic derivatives thereof, and a range of other biological antioxidant molecules are presented, with a view to understanding the antioxidant ability of these molecules. After testing of the necessary calculations, we show that melatonin lies close to vitamin E on a donor-acceptor map, indicating that it should be an excell...

We determined the variations in the surface physicochemical properties of Listeria monocytogenes Scott A cells that occurred under various environmental conditions. The surface charges, the hydrophobicities, and the electron donor and acceptor characteristics of L. monocytogenes Scott A cells were compared after the organism was grown in different growth media and at different temperatures; to ...

The intramolecular charge transfer (ICT), which is a pathway for excited state relaxation, was studied on the newly synthesized zinc(ii) complexes of tetrapyrazinoporphyrazines bearing one fixed donor (i.e., a dialkylamino substituent). The rest of the peripheral substituents on the core was designed with respect to their different electronic effects (OBu, neopentyl, StBu, COOBu). The photophys...

Antibodies to neoxanthin agglutinate stroma-free swellable chloroplasts from tobacco (Nicotiana tabacum var. John William's Broadleaf) and Antirrhinum (Antirrhinum majus) whereas stroma-freed chloroplasts, which have lost the swellability are not agglutinated despite the fact that antibodies to neoxanthin are specifically absorbed. In this latter case the agglutination is hindered for sterical ...