Theoretical studies of the tautomeric equilibria for five-member N-heterocycles in the gas phase and in solution

Article Abstract:

A study on tautomeric equilibra for five-member N-heterocycles and their methyl derivatives in the gas phase and in different solvent with dielectric constants of epsi = 4.7 - 78.4, was conducted. The free energy changes differentially from tautomers upon solvation as compared to the gas phase, resulting in the shift of the equilibrium constant in the solution.

Solvation, Methyl groups, Methyl compounds

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Carbon-nitrogen place exchange on NO exposed beta-Mo(sub 2)C

Article Abstract:

Atomic nitrogen and oxygen were deposited on beta-Mo(sub 2)C through dissociative adsorption of NO. Thermal desorption measurements show that the burnoff of the displaced carbon occurs at approximately 890 K and the incorporation of nitrogen into interstitial sites inhibits oxygen dissolution into the bulk.

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Porosity, surface area, surface energy, and hydrogen adsorption in nanostructured carbons

Article Abstract:

The amount of hydrogen that can be adsorbed by a carbon material depends on its own porosity and the external conditions. Hydrogen adsorption isotherms at 77, 87, and 298 K are measured on three samples of single-wall carbon nanotubes.

Hydrogen, Surface energy

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