The potential energy surface for the decomposition of CH3SiH2+ was studied by ub initio electronic structure theory. At the MP2/6-31G(d,p) level of theory, CH3SiH2+ is the only minimum energy structure on the SiCH5+ potential energy surface. Lower levels of theory reported that +CH2SiH3 was also a local minimum, about 40 kcal/mol higher in energy with only a small (ca. 1-2 kcdmol) banier for co...

A recent breakthrough in primary amine dehydrogenation by an oxidant-free process, and without any hydrogen acceptor, opens the possibility for RCH2NH2/RCN couples to be considered as potential hydrogen energy carriers. Both hydrogenation and dehydrogenation processes can be catalysed by ruthenium complexes under rather mild conditions. This emerging exciting approach could be the starting poin...

The synthesis, crystal structure and dehydrogenation performances of two new H-enriched compounds, Mg(BH4)2(NH3BH3)2 and Mg(BH4)2·(NH3)2(NH3BH3), are reported. Due to the introduction of ammonia ligands, the Mg(BH4)2·(NH3)2(NH3BH3) exhibits dramatically improved dehydrogenation properties over its parent compound.

Dehydrogenation of (partially) saturated heterocycles provides an important route to heteroaromatic compounds. A heterogeneous cobalt oxide catalyst, previously employed for aerobic oxidation of alcohols and amines, is shown to be effective for aerobic dehydrogenation of various 1,2,3,4-tetrahydroquinolines to the corresponding quinolines. The reactions proceed in good yields under mild conditi...

In this work, an experimental and modeling analysis of the adsorption of four aromatic compounds (i.e., toluene, naphthalene, o-xylene and ethylbenzene) onto a commercial activated carbon is carried out. The aim is to assess the suitability of the adsorption process for the treatment of polluted groundwater, also when a multiple contamination is detected. Batch adsorption tests from simulated p...

During the Mediterranean Intensive Oxidant Study (MINOS) campaign in August 2001 gas-phase organic compounds were measured using comprehensive twodimensional gas chromatography (GC×GC) at the Finokalia ground station, Crete. In this paper, C7−C11 aromatic and n-alkane measurements are presented and interpreted. The mean mixing ratios of the hydrocarbons varied from 1±1 pptv (i-propylbenzene) to...

3-Methylindole (3 MI) is a selective pulmonary toxicant, and cytochrome P450 (P450) bioactivation of 3 MI, through hydroxylation, epoxidation, or dehydrogenation pathways, is a prerequisite for toxicity. CYP2F1 and CYP2F3 exclusively catalyze the dehydrogenation of 3 MI to 3-methyleneindolenine, without detectable formation of the hydroxylation or epoxidation products. It was not known whether ...

3-Methylindole (3 MI) is a selective pulmonary toxicant, and cytochrome P450 (P450) bioactivation of 3 MI, through hydroxylation, epoxidation, or dehydrogenation pathways, is a prerequisite for toxicity. CYP2F1 and CYP2F3 exclusively catalyze the dehydrogenation of 3 MI to 3-methyleneindolenine, without detectable formation of the hydroxylation or epoxidation products. It was not known whether ...