Search results for "Hydrobromic acid"
showing 5 items of 5 documents
Direct perturbation theory in terms of energy derivatives: scalar-relativistic treatment up to sixth order.
2011
A formulation of sixth-order direct perturbation theory (DPT) to treat relativistic effects in quantum-chemical calculations is presented in the framework of derivative theory. Detailed expressions for DPT6 are given at the Hartree-Fock level in terms of the third derivative of the energy with respect to the relativistic perturbation parameter defined as λ(rel)=c(-2). They were implemented for the computation of scalar-relativistic energy corrections. The convergence of the scalar-relativistic DPT expansion is studied for energies and first-order properties such as dipole moment and electric-field gradient within the series of the hydrogen halides (HX, X = F, Cl, Br, I, and At). Comparison …
Gas phase chromatography of halides of elements 104 and 105
1992
On-line isothermal gas phase chromatography was used to study halides of261104 (T1/2=65 s) and262,263105 (T1/2=34 s and 27 s) produced an atom-at-a time via the reactions248Cm(18O, 5n) and249Bk(18O, 5n, 4n), respectively. Using HBr and HCl gas as halogenating agents, we were able to produce volatile bromides and chlorides of the above mentioned elements and study their behavior compared to their lighter homologs in Groups 4 or 5 of the periodic table. Element 104 formed more volatile bromide than its homolog Hf. In contrast, element 105 bromides were found to be less volatile than the bromides of the group 5 elements Nb and Ta. Both 104 and Hf chlorides were observed to be more volatile tha…
Halogenido ligand exchange synthesis, spectroscopic properties and thermal behaviour of the inorganic–organic hydrogen-bonded network solid [4,4′-H2b…
2014
Abstract Dark-red single crystals of 4,4′-bipyridinium triaquahydrogen(1+) hexabromidorhodate(III) [4,4′-H2bipy][H7O3][RhBr6] (1) have been synthesized by a diffusion-controlled ligand exchange process from rhodium(III) chloride trihydrate and 4,4′-bipyridine dissolved in hydrochloric and hydrobromic acid, respectively. 1 could be considered as an inorganic–organic hydrogen-bonded network solid built up from the inorganic isolated hexabromidorhodate [RhBr6]3− octahedra, organic 4,4′-bipyridinium(2+) [4,4′-H2bipy]2+ and triaquahydrogen(1+) [H7O3]+ cations with nearly symmetrical O⋯O distances. The oppositely charged components in the structure of 1 are bound together by an intricate system o…
Preparation, crystal structure at 298 and 90 K and phase transition in (C2H5NH3)2 [SbBr5] studied by the single crystal X-ray diffraction method
2004
The reaction of antimony(III) oxide with ethylamine, in molar ratios from 1:1 to 1:10, in concentrated hydrobromic acid leads to the formation of one product - bis(ethylammonium) pentabromoantimonate( III). The structure of (C2H5NH3)2[SbBr5] was determined at 298 and 90 K, below and above the phase transition that occurs at about 158.5 K. The orthorhombic system was found in both phases, space groups Cmca and Pbca at 298 and 90 K, respectively. At both temperatures the structure consists of [SbBr6]3− octahedra connected via cis bromine atoms forming one-dimensional zig-zag [{SbBr5}2−]n chains. The ethylammonium cations fill the space between polyanionic chains. The organic and inorganic sub…
Synthesis, structural and spectroscopic characterization of the α,ω-diammonioalkane hexabromorhodates(III) [H3N(CH2)xNH3]2[H 5O2][RhBr6]Br2 (x = 3, 4…
2002
The reaction of rhodium(III) chloride trihydrate with 1,3-diaminopropane and 1,4-diaminobutane in concentrated hydrobromic acid results in the formation of the bis(α,ω-diammonioalkane) diaquahydrogen(1+) hexabromorhodate(III) dibromides [H3N(CH2)xNH3]2[H5O2][RhBr6]Br2 (x = 3, 4). Dark red single crystals were obtained by diffusion-controlled crystallization at room temperature. Both compounds crystallize in space group type P1̄ and their structures are closely related. In view of crystal engineering they are inorganic-organic hybrid materials built up from octahedral [RhBr6]3−, simple Br− and flexible chain-like [H3N(CH2)xNH3]2+ ions with the [H5O2]+ and further Br− ions incorporated and th…