Walker, N R, Wright, R R, Barran, P E, Cox, H and Stace, A J (2001) Unexpected stability of [Cu center dot Ar](2+), [Ag center dot Ar](2+), [Au center dot Ar](2+), and their larger clusters. Journal of Chemical Physics, 114 (13). pp. 5562-5567. ISSN 0021-9606

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Abstract

Experimental observations following the ionization of neutral group 11 metal/argon complexes have revealed the presence of doubly charged ions of the form [M . Ar-n](2+) for n in the range 1-6. Of particular interest are two features of the results. First, the unexpected stability of the dimer ions, [M . Ar](2+), since similar species involving a molecule rather than a rare gas atom are often unstable with respect to charge transfer. Ab initio calculations show the dimers owe their stability to a combination of a strong electrostatic interaction and the high ionization energy of argon. A second feature to the results is the high relative intensities of the [M . Ar-4](2+) and [M . Ar-6](2+) ions. Calculations show these complexes to consist of square-planar D-4h structures, with the additional two atoms in [M . Ar-6](2+) occupying axial sites, which are Jahn-Teller distorted. The calculated relative binding energies support the preferential stability of these two structures. (C) 2001 American Institute of Physics.

Item Type:	Article
Additional Information:	HC performed all theory and provided evidence (of metastability via calculated (avoided) curve-crossings) for observation of dimers. First (theoretical) evidence of Jahn-Teller distortion in a Au(II) complex [AuAr6]2+. Experiment by all other authors. Written by corresponding author AJS. Times cited = 22.
Schools and Departments:	School of Life Sciences > Chemistry
Depositing User:	Hazel Cox
Date Deposited:	06 Feb 2012 20:07
Last Modified:	26 Mar 2012 16:12
URI:	http://sro.sussex.ac.uk/id/eprint/24217

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