Chlorine gas or electropositive chlorine reagents are used to prepare chlorinated aromatic compounds, which are found in pharmaceuticals, agrochemicals, and polymers, and serve as synthetic precursors for metal-catalyzed cross-couplings. Nature chlorinates with chloride anions, FAD-dependent halogenases, and O2 as the oxidant. A photocatalytic oxidative chlorination is described based on the or...

Internal attack of chromium containing alloys in mixed oxygen-chlorine environments occurs by the formation of pores which penetrate down grain boundaries of the alloys. No internal attack was detected in a binary Fe-20 %Cr alloy at 1200 K in environments containing 2500 ppm C12. The rate of internal attack of alloy 800H in such environments was increased by replacing the O2 in the gas by C02 ....

High level ab initio calculations at the MP2/cc-pVTZ, CCSD(T)/cc-pVTZ, and CASSCF(6,6)/cc-pVTZ levels were performed to investigate geometries and energies of superelectrophilic diprotonated, and dimethylated molecular chlorine (Cl2) and bromine (Br2) dications. Diprotonated chlorine and diprotonated bromine dications 3a and 6a, respectively, were found to be lowest energy minima. The isomeric ...

Mountain wave polar stratospheric clouds (PSCs) were detected on 8 February 2003 above the Scandinavian Mountains by in-situ instruments onboard the M55 Geophysica aircraft. PSC particle composition, backscatter and chlorine activation for this case are studied with a recently developed non-equilibrium microphysical box model for liquid aerosol. Results from the microphysical model, run on quas...

An extended validation of the new Lagrangian particle model MicroSpray version for dense gas simulation is proposed. MicroSpray simulates the dense gas dispersion in situations characterized by the presence of buildings, other obstacles, complex terrain, and possible occurrence of low wind speed conditions. Its performances are compared to a chlorine railway accident (Macdona), to a field exper...

We assessed the safety and efficacy of combined intravenous and aerosolized antioxidant administration to attenuate chlorine gas-induced airway alterations when administered after exposure. Adult male Sprague-Dawley rats were exposed to air or 400 parts per million (ppm) chlorine (a concentration likely to be encountered in the vicinity of industrial accidents) in environmental chambers for 30 ...