The 1s photoabsorption transitions in Br I and Br II
نویسندگان
چکیده
Relativistic configuration interaction calculations have been performed for the 1s→np (n=4-8) photoabsorption transitions in Br I and Br II and transition energies and transition probabilities have been evaluated. These data are necessary to interpret the experiment photoabsorption spectra. The K edge energy of Br I and Br II have also been computed and compared to the existing values when available.
منابع مشابه
Phase Transitions and Crystal Structure of Dimethylammonium Tribromomercurate(II), (CH3)2NH2HgBr3, as Studied by 81 Br NQR and Single Crystal X-ray Diffraction*
The temperature dependence of the 81 Br NQR frequencies of the title compound has revealed the presence of three phases (I, II and III, in the order of decreasing temperature): Tcl (II -1) = (318 ± 10) K and Tc2 (III II) = (202 ± 1) K. The transitions were confirmed by thermal analysis (DTA). Both of the II-I and I-II transitions exhibited strong hysteresis (/. e., superheating and supercooling...
متن کاملIsolated versus Condensed Anion Structure III: The Influence of the Cations 1,3-propanediammonium, 1,4-butanediammonium, /t-propylammonium, /i-butylammonium and /i-pentylammonium on Structures and Phase Transitions of ZnBrJ" Salts. A Br NQR and X-ray Structure Analysis
The influence of the cations on the condensation of the anions in the salts (A')Zn(II) Br4 and (A)2Zn(II)Br4 is studied by 81 Br NQR and X-ray crystal structure analysis. (A')Zn(II)Br4(A' = [H3N(CH2)3NH3] + ) (1) shows a phase transition at 474 K. The phase II of (1) crystallizes with isolated [ZnBrJ " tetrahedra: monoclinic P2 t/«, Z = 4, a = 1108.4 (5), b = 1096.8 (2), c = 1118.5 (6) pm, and ...
متن کاملTheoretical study on the f-f transition intensities of lanthanide trihalide systems.
The photoabsorption intensities of intra-4f(N) transitions (f-f transitions) in lanthanide systems have been extensively studied with the semiempirical Judd-Ofelt theory. The oscillator strengths of most f-f transitions are insensitive to a change of surrounding environment because 4f electrons are shielded by closed-shell 5s and 5p electrons from outside. However, there are some exceptional tr...
متن کاملOn the sensitivity of hard X-ray spectroscopies to the chemical state of Br.
The sensitivity of the 1s X-ray emission and high-energy-resolution fluorescence-detected X-ray absorption spectroscopies (XES and HERFD-XAS) to resolve the variations in the chemical state (electronic structure and local coordination) of Br has been investigated for a selected set of compounds including NaBrO3, NH4Br and C2H4Br2 (1,2-dibromoethane). For the Br K-edge XAS, employing the HERFD m...
متن کاملIsolated versus Condensed Anion Structure VI: X-ray Structure Analysis and 81 Br NQR of Guanidinium Pentabromodicadmate(II), [C(NH2)3]Cd2Br5, fns-Hydrazinium Pentabromocadmate(II), [H2NNH3]3CdBr5, and fo's-Hydrazinium Tetrabromocadmate(II)-Tetra Hydrate, [H2NNH3]2CdBr4-4H20
The structure of the condensed bromocadmate anions in [C(NH2)3]Cd2Br5 (1) and [H2NNH3]3CdBr5 (2) were studied at room temperature by X-ray diffraction. (1) crystallizes with double-chains bridged by Br atoms (orthorhombic, Pmmn, Z = 2, a = 1394.0(5), b = 394.5(1), c = 1086.9(5) pm). This chain structure was not described previously. (1) shows three 8 'Br NQR lines at temperatures between 77 and...
متن کامل