The excited states of a flavin-related compound, lumiflavin, were studied by the symmetry-adapted cluster (SAC)-configuration interaction (CI) ethod. The absorption peaks observed in the experimental spectrum were theoretically assigned. Transition energy of some low-lying n– * states ere obtained. The energy minimum structures of the first singlet and triplet excited states were calculated by ...

The complexes [Ru(CN)4(HAT)]2-, [{Ru(CN)4}2(mu2-HAT)]4- and [{Ru(CN)4}3(mu3-HAT)]6- (HAT = hexaaza-triphenylene) contain four, eight and twelve externally-directed cyanide ligands, respectively; they show strongly solvatochromic and intense MLCT absorptions, and [3]6- forms a high-dimensionality cyanide-bridged coordination network with Nd(III), in which Ru --> Nd energy transfer results in sen...

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

The solvatochromism of fluoresceine and its derivatives was studied in solvents of different Hydrogen Bond Donor (HBD), Hydrogen Bond Acceptor (HBA), Donor Number (DN) and Acceptor Number (AN) by their UV-Vis spectra. Results showed that position, intensity and shape of absorption bands change with type of solvent. These changes can be rationalized by solvatochromic parameters such as ...

Considering the pharmaceutical importance of hydantoins, a set of 25 derivatives of phenytoin, nirvanol and 5-methyl-5-phenylhydantoin, the lipophilicities of which were gradually increased by the introduction of different alkyl, cycloalkyl and alkenyl groups in position N3, was synthesized. Their properties under consideration were either estimated empirically, by UV/Vis spectroscopy, or calcu...

Artemisinin is a sesquiterpenoid lactone peroxide, known for its potent antimalarial activity that can be extracted from Artemisia annua L. This compound only sparingly soluble in water, making extraction using environmental-friendly and non-toxic aqueous solvents difficult. In the attempt to overcome this limitation, hydrotropes, which are class of compounds assist increasing solubility hydrop...

The electronic absorption spectra of morpholine and its five complexes have been studied in different solvents various polarities. regression correlation coefficients calculated with the SPSS program. Solvation energy relationships were deduced from spectral shifts correlated solvent parameters α (solvent hydrogen bond donor acidity), β acceptor basicity), π* (dipolarity/polarizability). percen...