The structure of gas-phase Al center dot nH(2)O (+): hydrated monovalent aluminium Al(+)(H(2)O)(n) or hydride-hydroxide HAlOH(+) (H(2)O)(n-1)?.

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van der Linde, C. and Beyer, M. K. (2011) The structure of gas-phase Al center dot nH(2)O (+): hydrated monovalent aluminium Al(+)(H(2)O)(n) or hydride-hydroxide HAlOH(+) (H(2)O)(n-1)?. Physical Chemistry Chemical Physics, 13 (15). pp. 6776-6778. DOI 10.1039/c1cp00048a.

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Abstract

Theoretical studies predict that Al center dot nH(2)O(+) clusters are present as hydride-hydroxide species HAlOH(+)( H(2)O)(n-1) in gas-phase experiments, energetically favoured by 200 kJ mol(-1) over Al(+) (H(2)O)(n). After collisions with D(2)O, however, no H/D scrambling occurs between H(2)O and D(2)O in clusters with n > 38, indicating that large clusters are present as the higher-energy isomers Al(+) (H(2)O)(n).

Document Type: Article
Keywords: induced hydrogen formation ionic water clusters ft-icr intracluster reactions h-2 elimination proton-transfer metal-ions ab-initio cations mg+(h2o)(n)
Research affiliation: Kiel University
Refereed: Yes
Date Deposited: 01 Nov 2012 04:56
Last Modified: 23 Jan 2013 10:00
URI: https://oceanrep.geomar.de/id/eprint/19066

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