| Literature DB >> 15506722 |
De-Liang Long1, Hamera Abbas, Paul Kögerler, Leroy Cronin.
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.Entities:
Year: 2004 PMID： 15506722 DOI： 10.1021/ja046410v
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419