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Title: 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

Abstract

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.

Authors:
 [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)
Publication Date:
OSTI Identifier:
21370575
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 182; Journal Issue: 9; Other Information: DOI: 10.1016/j.jssc.2009.06.026; PII: S0022-4596(09)00287-4; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CATIONS; DIAMONDS; DIFFERENTIAL THERMAL ANALYSIS; ELECTRON SPIN RESONANCE; FCC LATTICES; MOLECULAR CLUSTERS; MONOCRYSTALS; NMR SPECTRA; PARAMAGNETISM; SPACE GROUPS; SYNTHESIS; TANTALUM BROMIDES; TEMPERATURE RANGE 0273-0400 K; TETRAGONAL LATTICES; THERMODYNAMIC PROPERTIES; ULTRAVIOLET SPECTRA; VISIBLE SPECTRA; X-RAY DIFFRACTION; BROMIDES; BROMINE COMPOUNDS; CARBON; CHARGED PARTICLES; COHERENT SCATTERING; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CRYSTALS; CUBIC LATTICES; DIFFRACTION; ELEMENTS; HALIDES; HALOGEN COMPOUNDS; IONS; MAGNETIC RESONANCE; MAGNETISM; MINERALS; NONMETALS; PHYSICAL PROPERTIES; REFRACTORY METAL COMPOUNDS; RESONANCE; SCATTERING; SPECTRA; SYMMETRY GROUPS; TANTALUM COMPOUNDS; TEMPERATURE RANGE; THERMAL ANALYSIS; TRANSITION ELEMENT COMPOUNDS

Citation Formats

Peric, Berislav, Jozic, Drazan, Planinic, Pavica, Brnicevic, Nevenka, and Giester, Gerald. 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. United States: N. p., 2009. Web. doi:10.1016/j.jssc.2009.06.026.
Peric, Berislav, Jozic, Drazan, Planinic, Pavica, Brnicevic, Nevenka, & Giester, Gerald. 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. United States. https://doi.org/10.1016/j.jssc.2009.06.026
Peric, Berislav, Jozic, Drazan, Planinic, Pavica, Brnicevic, Nevenka, and Giester, Gerald. 2009. "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". United States. https://doi.org/10.1016/j.jssc.2009.06.026.
@article{osti_21370575,
title = {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},
author = {Peric, Berislav and Jozic, Drazan and Planinic, Pavica and Brnicevic, Nevenka and Giester, Gerald},
abstractNote = {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.},
doi = {10.1016/j.jssc.2009.06.026},
url = {https://www.osti.gov/biblio/21370575}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 9,
volume = 182,
place = {United States},
year = {Tue Sep 15 00:00:00 EDT 2009},
month = {Tue Sep 15 00:00:00 EDT 2009}
}