title: Isolation and characterization of the [Ga2Al18O8(OH)36(H2O)12](8+) cluster: cationic variations on the Wells-Dawson topology.
abstract: The structural chemistry of Group 13 polyoxometalates lags far behind related negatively charged transition metal species and limits the development of advanced materials. A novel heterometallic cluster [Ga2Al18O8(OH)36(H2O)12](8+) (Ga2Al18) has been isolated using a supramolecular approach and structurally characterized using single-crystal X-ray diffraction. Ga2Al18 represents the Wells-Dawson structure polycations and variations in the structural topology may be related to the initial stabilization of the Keggin isomer. DFT calculations on the related ε-Keggins (GaAl12 and Al13), Ga2Al18, and theoretical Al2Al18 clusters reveal similar features of electronic structure, suggesting additional heteroatom substitution in other isostructural clusters should be possible.
authors.affiliation: Department of Chemistry, University of Iowa, Iowa City, IA 52242, USA. sara-mason@uiowa.edu tori-forbes@uiowa.edu.
authors.forename: M
authors.initials: M
authors.lastname: Fairley
authors.forename: K W
authors.initials: KW
authors.lastname: Corum
authors.forename: A
authors.initials: A
authors.lastname: Johns
authors.forename: D K
authors.initials: DK
authors.lastname: Unruh
authors.forename: M
authors.initials: M
authors.lastname: Basile
authors.forename: J
authors.initials: J
authors.lastname: de Groot
authors.forename: S E
authors.initials: SE
authors.lastname: Mason
authors.forename: T Z
authors.initials: TZ
authors.lastname: Forbes