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Synthesis, crystal structure, spectroscopic and thermal properties of [Et{sub 4}N][Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]Br{sub 4}.4H{sub 2}O (Et=ethyl)-A new compound with the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} cluster core

Journal Article · · Journal of Solid State Chemistry
 [1];  [1];  [1];  [1];  [2]
  1. Ruder Boskovic Institute, Bijenicka cesta 54, 10000 Zagreb (Croatia)
  2. Institut fuer Mineralogie und Kristallographie, Universitaet Wien-Geozentrum Althanstrasse, 14, 1090 Wien (Austria)
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A new hexanuclear cluster compound, [Et{sub 4}N][Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]Br{sub 4}.4H{sub 2}O (Et=ethyl) (1), with the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 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 [Ta{sub 6}Br{sub 12}]{sup 3+} unit was confirmed also by the room-temperature magnetic and EPR measurements. The compound crystallizes in the tetragonal I4{sub 1}/a space group, with a=14.299(5), c=21.241(5) A, Z=4, R{sub 1}(F)/wR{sub 2}(F{sup 2})=0.0296/0.0811. The structure contains discrete [Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]{sup 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 (Fd3-barm) space group. - Graphical abstract: Two interpenetrating (pseudo)diamond nets formed by packing of the paramagnetic [Ta{sub 6}Br{sub 12}(H{sub 2}O)]{sup 3+} (octahedral) and diamagnetic [Et{sub 4}N]{sup +} (spheres) cations.
OSTI ID:
21370575
Journal Information:
Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 9 Vol. 182; ISSN 0022-4596; ISSN JSSCBI
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
BROMIDES
BROMINE COMPOUNDS
CARBON
CATIONS
CHARGED PARTICLES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
CUBIC LATTICES
DIAMONDS
DIFFERENTIAL THERMAL ANALYSIS
DIFFRACTION
ELECTRON SPIN RESONANCE
ELEMENTS
FCC LATTICES
HALIDES
HALOGEN COMPOUNDS
IONS
MAGNETIC RESONANCE
MAGNETISM
MINERALS
MOLECULAR CLUSTERS
MONOCRYSTALS
NMR SPECTRA
NONMETALS
PARAMAGNETISM
PHYSICAL PROPERTIES
REFRACTORY METAL COMPOUNDS
RESONANCE
SCATTERING
SPACE GROUPS
SPECTRA
SYMMETRY GROUPS
SYNTHESIS
TANTALUM BROMIDES
TANTALUM COMPOUNDS
TEMPERATURE RANGE
TEMPERATURE RANGE 0273-0400 K
TETRAGONAL LATTICES
THERMAL ANALYSIS
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
ULTRAVIOLET SPECTRA
VISIBLE SPECTRA
X-RAY DIFFRACTION