Synthesis, crystal structure, spectroscopic and thermal properties of [Et4N][Ta6Br12(H2O)6]Br4·4H2O (Et=ethyl)—A new compound with the paramagnetic [Ta6Br12] cluster core |
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| Authors: | Berislav Peri&#x; Draan Jozi&#x; Pavica Planini&#x; Nevenka Brni
evi&#x; Gerald Giester |
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| Institution: | aRuđer Bošković Institute, Bijenička cesta 54, 10000 Zagreb, Croatia;bInstitut für Mineralogie und Kristallographie, Universität Wien–Geozentrum Althanstraße, 14, 1090 Wien, Austria |
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| Abstract: | A new hexanuclear cluster compound, Et4N]Ta6Br12(H2O)6]Br4·4H2O (Et=ethyl) (1), with the paramagnetic Ta6Br12]3+ cluster entity, was synthesized and characterized by elemental and TG/DTA analyses, IR and UV/Vis spectroscopy and by a single-crystal X-ray diffraction study. The presence of the paramagnetic Ta6Br12]3+ unit was confirmed also by the room-temperature magnetic and EPR measurements. The compound crystallizes in the tetragonal I41/a space group, with a=14.299(5), c=21.241(5) Å, Z=4, R1(F)/wR2(F2)=0.0296/0.0811. The structure contains discrete Ta6Br12(H2O)6]3+ cations with an octahedron of metal atoms edge-bridged by bromine atoms and with water molecules occupying all six terminal positions. The cluster units are positioned in the vertices of the three-dimensional (pseudo)diamond lattice. The structure shows similarities with literature reported structures of cluster compounds crystallizing in the diamond  space group. |
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| Keywords: | Tantalum Bromide Hexanuclear cluster Synthesis Crystal structure Paramagnetic cluster |
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