Search results for "Halogen"
showing 10 items of 434 documents
Anion–π Interactions in Salts with Polyhalide Anions: Trapping of I 4 2−
2010
The directionality of interaction of electron-deficient π systems with spherical anions (e.g,. halides) can be controlled by secondary effects like NH or CH hydrogen bonding. In this study a series of pentafluorophenyl-substituted salts with polyhalide anions is investigated. The compounds are obtained by aerobic oxidation of the corresponding halide upon crystallization. Solid-state structures reveal that in bromide 2, directing NH-anion interactions position the bromide ion in an η(1)-type fashion over but not in the center of the aromatic ring. The same directing forces are effective in corresponding tribromide salt 3. In the crystal, the bromide ion is paneled by four electron-deficient…
Elemental Bromine Production by TiO2 Photocatalysis 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.
Design of experiment approach for the optimization of polybrominated diphenyl ethers determination in fine airborne particulate matter by microwave-a…
2015
Abstract A sensitive and selective procedure for the determination of 12 polybrominated diphenyl ethers (BDE-28, BDE-49, BDE-47, BDE-66, BDE-100, BDE-119, BDE-99, BDE-155, BDE-154, BDE-153, BDE-139 and BDE-183) in airbone particulate matter (PM2.5) at trace level has been developed. The proposed method includes extraction PM2.5-bound PBDEs by microwave-assisted extraction (MAE) followed by gel permeation chromatography (GPC) clean-up and determination by GC-MS/MS using a programmed temperature vaporizer (PTV) in large volume injection (LVI) mode to introduce the sample to the chromatographic system. A design of experiment (DoE) approach was used for the optimization of large volume injectio…
Exposure to trihalomethanes through different water uses and birth weight, small for gestational age, and preterm delivery in Spain
2011
Background: Evidence associating exposure to water disinfection by-products with reduced birth weight and altered duration of gestation remains inconclusive. Objective: We assessed exposure to trihalomethanes (THMs) during pregnancy through different water uses and evaluated the association with birth weight, small for gestational age (SGA), low birth weight (LBW), and preterm delivery. Methods: Mother–child cohorts set up in five Spanish areas during the years 2000–2008 contributed data on water ingestion, showering, bathing, and swimming in pools. We ascertained residential THM levels during pregnancy periods through ad hoc sampling campaigns (828 measurements) and regulatory data (264 me…
Efficient light-induced phase transitions in halogen-bonded liquid crystals
2016
Here, we present a new family of light-responsive, fluorinated supramolecular liquid crystals (LCs) showing efficient and reversible light-induced LC-to-isotropic phase transitions. Our materials design is based on fluorinated azobenzenes, where the fluorination serves to strengthen the noncovalent interaction with bond-accepting stilbazole molecules, and increase the lifetime of the cis-form of the azobenzene units. The halogen-bonded LCs were characterized by means of X-ray diffraction, hot-stage polarized optical microscopy, and differential scanning calorimetry. Simultaneous analysis of light-induced changes in birefringence, absorption, and optical scattering allowed us to estimate tha…
Effect of Halogen Ions on the Photocycle of Fluorescent Carbon Nanodots
2019
Carbon dots (C-dots) are well-known for their strong sensitivity to the environment, which reflects on intensity and shape changes of their fluorescence, induced by various interacting ions and molecules in solution. Although these interactions have been extensively studied in the last few years, especially in view of their possible sensing applications, the existing works have mostly focused on the quenching of C-dot fluorescence induced by metal cations. In fact, these latter easily bind to C-dots surfaces, which are negatively charged in most cases, promoting an electron transfer from the surface to them. Much less is known from the literature on the effect induced on C-dots by prototypi…
X-ray snapshot observation of palladium-mediated aromatic bromination in a porous complex
2014
Pd-mediated aromatic bromination is intriguing to synthetic and organometallic chemists due to both its synthetic utility and, more importantly, a proposed mechanism involving an uncommon Pd(IV)/Pd(II) catalytic cycle. Here, we report an X-ray snapshot observation of a Pd reaction center during a Pd-mediated aromatic bromination in a single crystal of a porous coordination network crystalline scaffold. Upon treatment of a single crystal with N-bromosuccinimide, sequential X-ray snapshots revealed that the aryl-Pd(II)-L species embedded in the network pores was converted to the brominated aryl product through a transient aryl-Pd(II)-Br species, which is normally unobservable because of its r…
Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth’s atmosphere
2016
The electronic states of atmospheric relevant molecules IBr and HgBr are reported, within the UV-Vis spectrum range (170nm≤λphoton≤600 nm) by means of the complete-active-space self-consistent field/multi-state complete-active-space second-order perturbation theory/spin-orbit restricted-active-space state-interaction (CASSCF/MS-CASPT2/SO-RASSI) quantum-chemical approach and atomic-natural-orbital relativistic-correlation-consistent (ANO-RCC) basis sets. Several analyses of the methodology were carried out in order to reach converged results and therefore to establish a highly accurate level of theory. Good agreement is found with the experimental data with errors not higher than around 0.1 …
Iodine on a magnetized iron film evidence for a magnetic coupling
1993
Abstract Spin-resolved photoelectron spectra of iodine chemisorbed on a magnetized iron (110) surface have been taken using unpolarized VUV light. The partial spin spectra reveal the I 5p x and 5p z signals being split by up to 0.35 eV. This exchange splitting occurs due to hybridization of adsorbate and substrate bands as a consequence of the chemical bond of the halogen atoms to the iron surface.
Intense mass-separated beams of halogens and beta-delayed neutron emission from heavy bromine isotopes
1984
Improved production yields of short-lived halogens were obtained from a ThO2 target, irradiated with 600 MeV protons, in combination with a negative surface ionization source. Mass-separated samples were studied by decay spectroscopy. Production yields of radioactive isotopes of chlorine, bromine, iodine and astatine are presented. Half-lives and relative neutron emission probabilities were measured for the heavy bromine isotopes89−92Br. Normalizing to earlier publishedPn values for89Br, the results are:89Br (4.30±0.14s,P n =13.6±0.8%),90Br (1.92±0.06s,P n =24.8±1.5%),91Br (0.53 ±0.03 s,P n =30.1 ±2.1%), and92Br (0.31 ±0.02 s,P n =34.6±2.5%). Energy spectra ofβ-delayed neutrons were measure…