Issue
J. Phys. IV France
Volume 05, Number C4, Mai 1995
Approches microscopique et macroscopique des détonations
2ème atelier international
Page(s) C4-417 - C4-422
DOI https://doi.org/10.1051/jp4:1995434
Approches microscopique et macroscopique des détonations
2ème atelier international

J. Phys. IV France 05 (1995) C4-417-C4-422

DOI: 10.1051/jp4:1995434

Rearrangements of Ammonium Nitrate Cluster Ions with High Internal Energy

R.J. Doyle and B.I. Dunlap

Chemistry Division, Naval Research Laboratory, Washington, DC 20375, U.S.A.


Abstract
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 NH4NO3 is strongly hydrogen bonded and that [(NH4NO3)NO3]- has no hydrogen bonds, consistent with this ion rearranging to lose NH3 to form the strongly hydrogen-bonded ion [H(NO3)2]-.



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