Atmospheric transport is the major route for global distribution of semi-volatile compounds such as halogenated aromatics as well as their major exposure route for humans. Their major atmospheric removal process is oxidation by hydroxyl radicals. There is very little information on the reaction mechanism or reaction-path dynamics of atmospheric degradation of halogenated benzenes. Furthermore, ...

The Density of State and the Natural Bond Orbital calculations were carried out to study theoxidation of CO on Au14 nano cluster through two different mechanisms and determining the bestmechanism for the reaction. Chemisorption of O2 and CO on the nano cluster led to change in energy,density of state and its thermodynamic properties. We calculated the energy band gap between thehighest occupied...

DOI: 10.1002/aenm.201601275 order to bridge the time gap between supply and demand. Molecular fuels like hydrogen or hydrocarbons produced from renewable electricity and water or CO2, respectively, can provide such a longterm chemical energy storage solution.[1–3] Considering hydrogen, its reconversion to electrical energy can be efficiently performed in fuel cells.[4] In a transition period, h...

This short review presents new insights on the mechanism and online monitoring using electrospray ionization tandem mass spectrometry (ESI-MS/MS) of Morita-Baylis-Hillman (MBH) reactions. MBH reactions are versatile carbon-carbon organocatalyzed bond forming reactions, making them environmentally friendly due to general organocatalysts employed. The organocatalyst behavior, which controls the t...