Potential energy curve study on the ^3Π electronic states of GaX （X=F, Cl, and Br） molecules

The potential energy curves （PECs） of the 3Π states of GaX （X=F, Cl, and Br） molecules are calculated using the multireference configuration interaction method with a large contracted basis set aug-cc-pV5Z. The PECs are accurately fitted to analytical potential energy functions （APEFs） using the Murrell–Sorbie potential function. The spectroscopic parameters for the states are determined using the obtained APEFs, and compared with the theoretical and experimental data available presently in the literature.

Synthesis and Characterization of Rare Earth Complexes with Phthalanilic Acids and Amino Acids

The complexes with the general formula REP3A· H2O [P = 2- (COO ) C6H4CONHC6H4X, X=2-CI, 4-Br; A=Gly, Ala, Leu; RE=Pr3+, Nd3+] were synthesized and characlerized by elemental analysis, IR and reflectance electronic spectra and TG methods. The results show that rare earth ion in each complex is coordinated by three oxygen atoms. One is from the amido and the other two from the hydroxyl in the carboxylate and the amino acid respectively, and each complex contains one coordinate water molecule. Condon parameters Fk, Lande parameters(4f), Nephelanxetic ratio(β), percentage convalency parameter(δ) and bonding parameter(b ) of the chelates were calculated from the reflectance electronic spectra, indicating certain covalent character in the metalligand bond. The apparent decompose activation energies were evaluated and the decompose mechanism were discussed.

The Fluorescence of Pr3+ in Zinc Lithium Bismuth Borate Glasses with Large Stimulated Emission Cross Section

Glass sample of Zinc Lithium Bismuth Borate (25-x) Bi2O3:20Li2O:20ZnO:35B2O3:xPr6O11, (where x = 1, 1.5 and 2 mol%) has been prepared by melt-quenching technique. The amorphous nature of the prepared glass samples was confirmed by X-ray diffraction. The absorption spectra of three Pr3+ doped zinc lithium bismuth borate glasses have been recorded at room temperature. The observed optical spectra are discussed in terms of energy states and the intensity of the transitions. The various interaction parameters like Slater-Condon, Lande, bonding and Racah parameters have been computed. Judd-Ofelt intensity parameters and laser parameters have also been calculated. The stimulated emission cross section (σp) for the transition (3P0 → 3F2) is found to be in the range 3.12 - 10.43 * 10-20 cm2. The σp values are comparatively large suggesting the possible utilization of these materials in laser applications.