Sequential growth simulation of (NH3)n clusters (n=2-8) in ultracold superfluid environment

Patrone, Marta and Mella, Massimo 2011. Sequential growth simulation of (NH3)n clusters (n=2-8) in ultracold superfluid environment. Chemical Physics Letters 514 (1-3) , pp. 16-20. 10.1016/j.cplett.2011.07.086

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Abstract

The growth of ammonia cluster (NH3)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 (H2O)n for n ⩾ 5. Guide by our theoretical analysis, we suggest the need for re-interpreting recent experimental IR spectra of (NH3)n in He droplets for 5 ⩽ n ⩽ 8.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Schools > Chemistry
Subjects:	Q Science > QD Chemistry
Publisher:	Elsevier
ISSN:	0009-2614
Last Modified:	19 Mar 2016 22:28
URI:	https://orca.cardiff.ac.uk/id/eprint/17623

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