Exploring the rotational isomerism in non-classical Wells–Dawson anions {W18X}:: a combined theoretical and mass spectrometry study

Vilá-Nadal, L. , Mitchell, S.G., Long, D.L. , Rodríguez-Fortea, A., López, X., Poblet, J.M. and Cronin, L. (2012) Exploring the rotational isomerism in non-classical Wells–Dawson anions {W18X}:: a combined theoretical and mass spectrometry study. Dalton Transactions, 41(8), pp. 2264-2271. (doi:10.1039/c2dt11919f)

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Abstract

We present a combined theoretical and mass spectrometry study of the rotational isomerism of the non-classical Wells–Dawson anions. The structure is larger than the Keggin anion and six geometric isomers are predicted (α, β, γ, α*, β*, γ*) on the basis of structural arguments. This work explores the geometrical differences between the isomers and evaluates the stability of these unusual clusters based upon the inclusion of the different heteroatoms. We connect the theoretical results with experimental studies by exploring the fragmentation of the parent clusters by electrospray-ionisation mass spectrometry (ESI-MS). Both approaches show a general stability trend that can be postulated as follows: γ* > β* > α* > α ≫ β > γ where the isomers γ*, β* and α are the only anions of this type known to have been synthesised.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Vila-Nadal, Dr Laia and Long, Dr Deliang and Cronin, Professor Lee
Authors: Vilá-Nadal, L., Mitchell, S.G., Long, D.L., Rodríguez-Fortea, A., López, X., Poblet, J.M., and Cronin, L.
Subjects:Q Science > QD Chemistry
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Dalton Transactions
ISSN:1477-9226
Published Online:23 December 2011

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