title: Synthesis and characterization of homo- and heteronuclear molecular Al3+ and Th4+ species chelated by the ethylenediaminetetraacetate (edta) ligand.
abstract: Four molecular species chelated by edta have been synthesized from aqueous solutions and characterized by single-crystal X-ray diffraction, infrared spectroscopy, and thermogravimetric analysis. [Th(H2O)4(edta)] (Th1) crystallized in monoclinic space group P2(1)/c with unit cell parameters of a = 8.5275(5) Å, b = 12.0635(7) Å, c = 15.8825(9) Å, and β = 105.340(2)°. Monoclinic space group C2 was identified for [Al2(edta)(OH)2(H2O)2] (Al2) with a = 11.1089(10) Å, b = 9.4830(8) Å, c = 7.6116(7) Å, and β = 112.026(3)°. [Th4(H2O)4Al10(H2O)8(OH)28(edta)4]·Cl2(H2O)29 (Th4Al10) formed the triclinic space group P1 with a = 9.3172(8) Å, b = 16.6099(14) Å, c = 19.5080(14) Å, α = 102.314(3)°, β = 95.615(3)°, and γ = 92.473(3)°. [Th2(H2O)2Al6(H2O)10(OH)14(edta)2]·(NO3)4(H2O)18 (Th2Al6) also crystallized in triclinic space group P1[combining macron] with unit cell parameters a = 10.9899(12) Å, b = 11.6107(12) Å, c = 14.3350(17) Å, α = 73.012(4)°, β = 87.411(4)°, and γ = 75.717(4)°. Small molecular species are observed in the Th1 and Al2 compounds, while the metal cations hydrolyze to create nanometer-sized heterometallic clusters in the Th4Al10 and Th2Al6 materials. The topological characteristics of each species are described and related to aqueous speciation in Th(4+), Al(3+)-edta systems.
authors.affiliation: Department of Chemistry, University of Iowa, W374 Chemistry Building, Iowa City, IA 52242, USA.
authors.forename: Melissa
authors.initials: M
authors.lastname: Fairley
authors.forename: Daniel K
authors.initials: DK
authors.lastname: Unruh
authors.forename: Amy
authors.initials: A
authors.lastname: Donovan
authors.forename: Samangi
authors.initials: S
authors.lastname: Abeysinghe
authors.forename: Tori Z
authors.initials: TZ
authors.lastname: Forbes
mesh_terms: D000535:Aluminum / Q000737:chemistry*; D004492:Edetic Acid / Q000737:chemistry*; D008024:Ligands; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D013910:Thorium / Q000737:chemistry*
chemical_list: D008024:Ligands; D009942:Organometallic Compounds; D013910:Thorium; D004492:Edetic Acid; D000535:Aluminum