Search results for "bromine"
showing 10 items of 102 documents
The bromine nuclear quadrupole moment revisited
2013
For the bromine atom and the hydrogen bromide molecule, we report results for the electric-field gradient at the bromine nucleus based on quantum-chemical calculations. Highly accurate values are obtained by using coupled-cluster methods for the treatment of electron correlation, by minimising remaining basis-set effects through the use of large atomic-orbital sets, and by taking into account relativistic effects. For hydrogen bromide, zero-point vibrational corrections are considered as well. The obtained results for the bromine electric-field gradients are used to derive values for the Br-79 quadrupole moment: 308.1 and 309.3 mb based on data for the bromine atom and hydrogen bromide, res…
Determination of halogen species of humic substances using HPLC/ICP-MS coupling
1997
A mass spectrometric method for the determination of chlorine, bromine and iodine species of humic substances (HS) has been developed by coupling a HPLC system with ICP-MS. Using size exclusion chromatography, the method was applied to the characterization of natural water samples (ground water, seepage water from soil, brown water) and a sewage water sample. Quantification of iodine/HS species was carried out by the on-line isotope dilution technique, which was not possible for bromine and chlorine species because of mass spectroscopic interferences by using a quadrupole ICP-MS. Characteristic fingerprints of the halogen/HS species, correlated with the corresponding UV chromatogram, were o…
Merging shuttle reactions and paired electrolysis for reversible vicinal dihalogenations
2021
Vicinal dibromides and dichlorides are important commodity chemicals and indispensable synthetic intermediates in modern chemistry that are traditionally synthesized using hazardous elemental chlorine and bromine. Meanwhile, the environmental persistence of halogenated pollutants necessitates improved approaches to accelerate their remediation. Here, we introduce an electrochemically assisted shuttle (e-shuttle) paradigm for the facile and scalable interconversion of alkenes and vicinal dihalides, a class of reactions that can be used both to synthesize useful dihalogenated molecules from simple alkenes and to recycle waste material through retro-dihalogenation. The reaction is demonstrated…
Synthesis of brominated tetrathiafulvalenes via phosphite-mediated cross-coupling
2010
The synthesis of polybrominated tetrathiafulvalenes (TTF-Brn, 2-4) containing 2-4 bromine atoms via phosphite-mediated cross-coupling of bromo-substituted 1,3-dithiole-2-thiones and 1,3-dithiole-2-ones is reported. © 2010 Elsevier B.V.
Mass spectra of halogenated esters 6—Methyl esters of some trihalogenated propanoic and butanoic acids
1984
The mass spectral fragmentation of trihalogenated methyl esters, formed in the reactions of monochlorinated methyl propenoates and 2-butenoates with Cl2, BrCl and Br2, have been investigated. In most cases α-cleavage gives the base peak, [COOCH3]+, the peaks originating from the subsequent losses of one or two halogen atoms also being abundant. The primary loss of a halogen atom is more prominent in the C4 derivatives, Br˙ and Cl˙ being preferentially lost from the 2- and 3-positions, respectively. The McLafferty rearrangement yields in one case the base peak; the 2-halo compounds could in general be distinguished by that fragmentation. Typical for all 2-bromo-substituted methyl butanoates …
2,4-Dibromophenyl 2,6-dibromophenyl ether
2002
The title compound, C12H6Br4O, is the fourth well characterized of a total of potentially 209 different brominated diphenyl ethers. Salient intermolecular interactions are between ether O and aromatic C atoms, and between a bromine substituent and the aromatic ring system.
Über die polymeranaloge bromierung von naturkautschuk und einige lösungseigensch aften des bromkautschuks. Über die molekularen konstanten von naturk…
1961
Naturkautschuk last sich in verdunnter Losung in Cyclohexan bromieren, wobei das Molekulargewicht entsprechend dem Bromgehalt zunimmt (polymeranaloge Umsetzung). Fur Bromkautschuk steigenden Bromgehalts wird Cyclohexan ein zunehmend schlechteres Losungsmittel, was sich in einer Abnahme des 2. osmotischen Virialkoeffizienten und einer Kontraktion des Molekulknauels zeigt. Dieses Ergebnis wird in quantitativer Ubereinstimmung durch Viskositats- und Lichtstreuungsmessungen erhalten. Cyclohexanlosungen von Bromkautschuk mit 43% Brom haben bei Zimmertemperatur einen Θ-Punkt. In diesem Zustand ist der Knauel 1,74mal groser als bei freier Drehbarkeit, in ziemlich guter Ubereinstimmung mit dem an a…
ChemInform Abstract: Elemental Bromine Production by TiO2Photocatalysis and/or Ozonation.
2016
Significant production of elemental bromine (Br2 ) was observed for the first time when treating bromide containing solutions at acidic pH, with TiO2 photocatalyst, ozone, or a combination thereof. Br2 selectivities up to approximately 85 % were obtained and the corresponding bromine mass balance values satisfied. The process is general and may be applied at a laboratory scale for green bromination reactions, or industrially as a cheap, safe, and environmentally sustainable alternative to the currently applied bromine production methods.
Quantification of the depletion of ozone in the plume of Mount Etna
2015
Volcanoes are an important source of inorganic halogen species into the atmosphere. Chemical processing of these species generates oxidised, highly reactive, halogen species which catalyse considerable O3 destruction within volcanic plumes. A campaign of ground-based in situ O3, SO2 and meteorology measurements was undertaken at the summit of Mount Etna volcano in July/August 2012. At the same time, spectroscopic measurements were made of BrO and SO2 columns in the plume downwind. Depletions of ozone were seen at all in-plume measurement locations, with average O3 depletions ranging from 11–35 nmol mol−1 (15–45%). Atmospheric processing times of the plume were estimated to be between 1 and …
Plume composition and volatile flux of Nyamulagira volcano, Democratic Republic of Congo, during birth and evolution of the lava lake, 2014-2015
2017
Very little is known about the volatile element makeup of the gaseous emissions of Nyamulagira volcano. This paper tries to fill this gap by reporting the first gas composition measurements of Nyamulagira’s volcanic plume since the onset of its lava lake activity at the end of 2014. Two field surveys were carried out on 1 November 2014, and 13–15 October 2015. We applied a broad toolbox of volcanic gas composition measurement techniques in order to geochemically characterize Nyamulagira’s plume. Nyamulagira is a significant emitter of SO2, and our measurements confirm this, as we recorded SO2 emissions of up to ~ 14 kt/d during the studied period. In contrast to neighbouring Nyiragongo volc…