Parameters of molecular reactivity (PRMs) it has been used by a group to foresee the reactivity of molecules that can be interesting in the formation of complex systems and introduce capacity potentially electron donors. It has also been used by a group, correlations of PRMs with other physical-chemistries properties as reaction enthalpy, energy-free from Gibbs, and of formation enthalpy. In this work, we made the study of the parameters of molecular reactivity (PRMs) for the molecules: Quinoline-N-Oxide (C9H7NO), Nicotinamide-NOxide (C6H6N2O2), and 2,2-Dithiobispiridine-N-Oxide (C10H8N2O2S2) and compared with measures of molar conductance. Our purpose was to observe in which greatness the conductance of a neutral ligand can influence the conductance of a complex system. Starting from the obtained data we observed that all the ligands studied in this work behave as nonelectrolyte in an aqueous solution, as expected, the second proposal based on the studies of ionic salts and pseudo-covalent, and, therefore we waited that should not influence significantly in the behavior electrolyte of complex systems formed with the same ones. Such expectations will be susceptible to practical confrontation through opportune experimental procedures.

The lanthanum, neodymium and erbium chlorides were prepared from your respective starting oxides in aqueous suspension with slow addition of hydrochloric acid and later placed in desiccator. The compositions were characterized through of the complexometric titrations with EDTA, thermogravimetry (TG) and molar conductance. The TG curves were accomplished in synthetic air and we verified your thermal stabilities, and the process of thermal decomposition. The results obtained by the titration and for TG they made possible to establish the stoichiometry of the compounds that came as: LaCl3.7H2O, NdCl3.6H2O e ErCl3.7H2O. The molar conductance, in water, informed us a type of electrolyte 1:3, evidencing that the ions chlorides is not coordinated to the lanthanides and they are out of the coordination sphere in these complex salts.

The cation complex uranyl UO22+, is an molecular ion very stable. It possesses a linear geometry O=U=O, with connections U-O short of the order of 1,75 Å. Studies returned for to the fictionalization of this ion, for the insert of appropriate ligands it has been enough discussed in the literature. In this work we studied the transitions in the area of the uv-visible of the ion uranyl coordinated to the against-cation acetate, derived chemist of the acetic acid, in the compound UO2(H3CCOO)2.2H2O, known as uranyl acetate. For that your transitions were observed, calculated and compared by force of the oscillator by the Gaussian and Simpson methods. Optical parameters of connection such an as effect nephelauxetic (1 - ), covalence factor b1/2, and Sinha parameter, they were also appraised. Our purpose is allow information of this chemical system, for subsequent researches involving this ion in complex systems obtained in general by our group and groups of researches.

The purpose of this study was to analyze and quantify spectral parameters, the absorption bands, specifically in the uv-visible region of some N-oxide ligands. From the spectra, the area under the absorption band, the molar absorptivity, the integrated absorption coefficient and the oscillator strength by the Gaussian approximation method were calculated for each of them, using the proposed evaluation by Drago and Figgs. According to the obtained results, it can be concluded that the heterocyclic compounds studied absorb very well electromagnetic radiation in the ultraviolet region. For the ligands QUI-NO and NIC-NO it was observed that there are two types of bands, primary and secondary, being transitions of type π → π * and n → π*, respectively. For DITBIS-NO, there was only one primary band (transition 1) and two additional shoulders, which had the highest observed absorbance coefficient. These ligands are expected as potential electron donors in complex systems whose purpose is to change the energy levels of the electronic system in order to promote a better utilization of the absorbed energy and therefore a better efficiency.

Electronic studies in molecular systems have been used to evaluate the possibility of improvements in the efficiency of physicochemical processes of interest in electronic devices. We have studied complex molecular systems prototypes in our research area, especially involved in intra- and intermolecular electron transfer. In this work, we performed the spectral recording of uranyl acetate dihydrate in aqueous solution to characterize its spectral properties, related to the deformation of the electronic configuration, against the incidence of uv-visible radiation, in order to functionalize the spectral properties of uranium, by the insertion of donor species of electron pairs. For this we evaluate the electronic polarizabilities, by the use of the program POLAZ-F2.