A new structural family of heteropolytungstate lacunary complexes with the uranyl, UO 2 2 , cation Andrew J. Gaunt,* a Iain May, a Roy Copping, a Anand I. Bhatt, a David Collison, b O. Danny Fox, c K. Travis Holman d and Michael T. Pope* d a Centre for Radiochemistry Research, Department of Chemistry, The University of Manchester, Manchester, UK M13 9PL. E-mail: gaunt@lanl.gov; Fax: 44 (0)161 275 4616; Tel: 44 (0)161 275 4657 b Department of Chemistry, The University of Manchester, Manchester, UK M13 9PL c Research and Technology, BNFL, Sellaeld, Seascale, Cumbria, UK CA20 1PG d Department of Chemistry, Georgetown University, Box 571227, Washington, DC 20057-1227, USA. E-mail: popem@georgetown.edu Received 14th March 2003, Accepted 9th June 2003 First published as an Advance Article on the web 27th June 2003 The reaction of UO 2 2+ with the trivacant lacunary polyoxometalate anions, [SbW 9 O 33 ] 9- and [TeW 9 O 33 ] 8- , yields the novel isostructural complexes [(UO 2 ) 2 (H 2 O) 2 (SbW 9 O 33 ) 2 ] 14- (1) and [(UO 2 ) 2 (H 2 O) 2 (TeW 9 O 33 ) 2 ] 12- (2), respectively. The complex anions contain two [XW 9 O 33 ] n- (X = Sb III or Te IV ) anions linked by two UO 2 2+ cations. Each uranyl moiety bonds to two unsaturated oxygen atoms of each lacunary anion in the complex. Each [XW 9 O 33 ] n- anion has six unsaturated oxygen atoms meaning that in 1 and 2 each [XW 9 O 33 ] n- anion has two unsaturated oxygen atoms which remain uncoordinated to uranium with the result being the formation of an ‘open’ sandwich structure. The fact that a third UO 2 2+ cation is not coordinated to form a ‘closed’ sandwich structure (as is observed for rst row d-block transition metals) is attributed to the steric hindrance of the axial ‘yl’ oxygen atoms of the uranyl group. The products, prepared as NH 4 + salts, have been characterised by single crystal X-ray diraction, elemental analysis, TGA analysis, IR, Raman and UV/vis spectroscopy, which indicate that the O donor atoms of the lacunary heteropolytungstate anions are strongly coordinating to U() in the equatorial plane, weakening the uranyl U–O axial bonds. Introduction The synthesis and characterisation of heteropoly compounds containing uranium is of current interest because of their potential use for nuclear waste sequestration and storage. 1 Until recently the chemistry of the uranyl cation, UO 2 2+ , with poly- oxometalates has been largely neglected. Actinyl species are thought to be weakly coordinating to monovacant lacunary anions, such as [PW 11 O 39 ] 7- , because of the steric constraints of the linear dioxo group. 2 However, Pope and co-workers have reported several structural characterisations of complexes of UO 2 2+ with various di- and trivacant lacunary hetero- polyanions. The rst structurally characterised uranyl–poly- oxometalate complex was from the reaction with [PW 9 O 34 ] 9- yielding the sandwich complex [Na 2 (UO 2 ) 2 (PW 9 O 34 ) 2 ] 12- in which two UO 2 2+ ions are sandwiched between two [PW 9 O 34 ] 9- ions and are also linked to each other through Na + ions. 3 More recently the crystal structure and characterisation of the NpO 2 + analogue has been reported. 4 [γ-SiW 10 O 36 ] 8- reacts with UO 2 2+ to form the tetrameric complex [{Na(OH 2 )} 4 - (UO 2 ) 4 (SiW 10 O 36 ) 4 ] 22- , which contains a U–O–Na array that links the four [γ-SiW 10 O 36 ] 8- anions and four UO 2 2+ cations. 5 Of most interest to this present study was that of the interaction between UO 2 2+ and [NaAs 4 W 40 O 140 ] 27- (a cyclic assembly of four [AsW 9 O 33 ] 9- anions linked by WO 6 octa- hedra), in which both plenary, [(UO 2 ) 3 (H 2 O) 6 As 3 W 30 O 105 ] 15- , and lacunary, [(UO 2 ) 3 (H 2 O) 5 As 3 W 29 O 104 ] 19- , complexes are formed. 6 The plenary anion consists of three B-[AsW 9 O 33 ] 9- anions linked by three uranyl cations. The [AsW 9 O 33 ] 9- anions are also linked through three corner shared WO 6 octahedra. First row transition metal ions react with lone pair contain- ing [XW 9 O 33 ] x- anions to yield closed dimeric structures in which three metal cations are sandwiched between two lacunary polyoxometalate anions with general formula [(XW 9 O 33 ) 2 - M 3 (H 2 O) 3 ] n- (n = 12, X = As III , Sb III , M = Cu 2+ , Zn 2+ ; n = 10, X = Se IV , Te IV , M = Cu 2+ ). 7 Trivacant polyoxoanions also form novel structural types with 4f-elements such as [Eu 3 (H 2 O) 3 - (SbW 9 O 33 )(W 5 O 18 ) 3 ] 18- , 8 and very recently the crown shaped ring complexes [K{Eu(H 2 O) 2 (AsW 9 O 33 )} 6 ] 35- and [Cs{Eu- (H 2 O) 2 (AsW 9 O 33 )} 4 ] 23- in which Eu 3+ ions link a cyclic array of lacunary anions with encapsulation of the alkali metal ion. 9 We report here the interaction of UO 2 2+ with [SbW 9 O 33 ] 9- and [TeW 9 O 33 ] 8- resulting, not in complexes analogous to those with [AsW 9 O 33 ] 9- , but unexpectedly dimeric lacunary com- plexes with formulae [(UO 2 ) 2 (H 2 O) 2 (SbW 9 O 33 ) 2 ] 14- and [(UO 2 ) 2 - (H 2 O) 2 (TeW 9 O 33 ) 2 ] 12- . Experimental General Chemicals were obtained from commercial suppliers and used without further purication. Water was puried by distillation. Syntheses Na 9 [SbW 9 O 33 ]19.5H 2 O was prepared according to a published literature method. 10 Na 8 [TeW 9 O 33 ]19.5H 2 O. was prepared using the same method as for Na 9 [SbW 9 O 33 ]19.5H 2 O, but replacing Sb 2 O 3 with TeO 2 as follows: Na 2 WO 4 2H 2 O (40 g, 121 mmol) was dissolved in boiling H 2 O (80 cm 3 ). TeO 2 (2.14 g, 13.44 mmol) was dissolved in concentrated HCl (10 cm 3 ) and the resulting solution added dropwise to the tungsten containing solution. The mixture was reuxed for 1 h then allowed to cool to room temperature. Slow evaporation in air over several days yielded colourless crystals of the target compound (25.39 g, 66% yield), which were washed with ice-cold H 2 O (5 cm 3 ) and dried in air. (NH 4 ) 14 [(UO 2 ) 2 (H 2 O) 2 (SbW 9 O 33 ) 2 ]24H 2 O. Na 9 [SbW 9 O 33 ] 19.5H 2 O (1.14 g, 0.40 mmol) was suspended in H 2 O (100 cm 3 ) DOI: 10.1039/ b302955g 3009 This journal is © The Royal Society of Chemistry 2003 Dalton Trans. , 2003, 3009–3014