Rearrangements of Ammonium Nitrate Cluster Ions with High Internal Energy

Autor: Doyle, R. J., Dunlap, B. I., Doyle, R. J., Dunlap, B. I.
Zdroj: Journal de Physique IV - Proceedings; June 1995, Vol. 5 Issue: 1 pC4-417-C4-422, 4174419p
Abstrakt: Sputtering of condensed-phase ammonium nitrate yields an extensive distribution of negative cluster ions of the form [(NH4NO3)nNO3]-, n≥3. Collision-induced dissociation of mass-selected cluster ions suggests that the first two members of the series, n = 1 and n = 2, are missing because the ions rearrange to lose one or more ammonia molecules. Gradient-corrected density-functional calculations show that NH4NO3is strongly hydrogen bonded and that [(NH4NO3)NO3]-has no hydrogen bonds, consistent with this ion rearranging to lose NH3to form the strongly hydrogen-bonded ion [H(NO3)2]-.
Databáze: Supplemental Index