The structure of gas-phase [Al·nH2O]+: hydrated monovalent aluminium Al+(H2O)n or hydride-hydroxide HAlOH+(H2O)n−1?

Literature Information

Publication Date 2011-03-11
DOI 10.1039/C1CP00048A
Impact Factor 3.676
Authors

Christian van der Linde, Martin K. Beyer


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Abstract

Theoretical studies predict that [Al·nH2O]+clusters are present as hydride-hydroxide species HAlOH+(H2O)n−1 in gas-phase experiments, energetically favoured by 200 kJ mol−1 over Al+(H2O)n. After collisions with D2O, however, no H/D scrambling occurs between H2O and D2O in clusters with n > 38, indicating that large clusters are present as the higher-energy isomers Al+(H2O)n.

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