A high-nuclearity "Celtic-ring" isopolyoxotungstate, [H12W36O120]12-, that captures trace potassium ions

De-Liang Long; Hamera Abbas; Paul Kögerler; Leroy Cronin

doi:10.1021/ja046410v

A high-nuclearity "Celtic-ring" isopolyoxotungstate, [H12W36O120]12-, that captures trace potassium ions

J Am Chem Soc. 2004 Nov 3;126(43):13880-1. doi: 10.1021/ja046410v.

Authors

De-Liang Long¹, Hamera Abbas, Paul Kögerler, Leroy Cronin

Affiliation

¹ Department of Chemistry, The University of Glasgow, Glasgow G12 8QQ, UK.

PMID: 15506722
DOI: 10.1021/ja046410v

Abstract

A high-nuclearity {W36} isopolyoxotungstate cluster, [H12W36O120]12-, with a triangular shape has been isolated by using an encapsulating organic cation, protonated triethanolamine. In analogy to an 18-crown-6 crown ether, the cluster captures a potassium ion, present in trace amounts in the reaction system, within its cavity. DFT calculations suggest that the distribution of partial atomic charges over the oxygen framework shows maxima at certain "hotspot" sites, which imply possible routes for further cluster growth based on the {W36} system.