The growth of ammonia cluster (NH(3))(n) (n = 2-8) in He droplets was studied using a polarizable potential assuming ultrafast heat dissipation and preventing the rearrangement of cluster structures. Energies, structures and isomer statistical distributions were obtained showing that a few high energy isomers may form with a probability similar to low energy ones and that ammonia clusters behave differently from (H(2)O)(n) for n >= 5. Guide by our theoretical analysis, we suggest the need for re-interpreting recent experimental IR spectra of (NH(3))(n) in He droplets for 5 <= n <= 8. (C) 2011 Elsevier B.V. All rights reserved.
Sequential growth simulation of (NH(3))(n) clusters (n=2-8) in ultracold superfluid environment
MELLA, MASSIMO
2011-01-01
Abstract
The growth of ammonia cluster (NH(3))(n) (n = 2-8) in He droplets was studied using a polarizable potential assuming ultrafast heat dissipation and preventing the rearrangement of cluster structures. Energies, structures and isomer statistical distributions were obtained showing that a few high energy isomers may form with a probability similar to low energy ones and that ammonia clusters behave differently from (H(2)O)(n) for n >= 5. Guide by our theoretical analysis, we suggest the need for re-interpreting recent experimental IR spectra of (NH(3))(n) in He droplets for 5 <= n <= 8. (C) 2011 Elsevier B.V. All rights reserved.File | Dimensione | Formato | |
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