crta
Hrvatska znanstvena Sekcija img
bibliografija
3 gif
 Home
 About the project
 FAQ
 Contact
4 gif
Browsing
Basic search
Advanced search
Statistical data
Other bibliographies
Similar projects
 Catalogues and databases

Bibliographic record number: 660228

Journal

Authors: Androš, Lidija; Jurić, Marijana; Popović, Jasminka; Šantić, Ana; Lazić, Predrag; Benčina, Metka; Valant, Matjaz; Brničević, Nevenka; Planinić, Pavica
Title: Ba4Ta2O9 Oxide Prepared from an Oxalate-Based Molecular Precursor—Characterization and Properties
( Ba4Ta2O9 Oxide Prepared from an Oxalate-Based Molecular Precursor—Characterization and Properties )
Source: Inorganic chemistry (0020-1669) 52 (2013), 24; 14299-14308
Paper type: article
Keywords: Ba4Ta2O9; oxalate-based complex; crystal structure; Rietveld refinement; photocatalyst; density functional theory; electrical conductivity
( Ba4Ta2O9; oxalate-based complex; crystal structure; Rietveld refinement; photocatalyst; density functional theory; electrical conductivity )
Abstract:
A novel heterometallic oxalate-based compound, {; ; ; Ba2(H2O)5[TaO(C2O4)3]HC2O4}; ; ; •H2O (1) was obtained by using an (oxalato)tantalate(V) aqueous solution as a source of the complex anion, and characterized by the X-ray single-crystal diffraction, IR spectroscopy, and thermal analysis. Compound 1 is a three-dimensional (3D) coordination polymer with the Ta atom connected to eight neighboring Ba atoms through the oxalate ligands and the oxo-oxygen group. Thermal treatment of 1 up to 1200 °C leads to molecular-to-materials conversion that yields the mixed-metal γ-Ba4Ta2O9 phase. This high-temperature γ-Ba4Ta2O9 polymorph has the 6H-perovskite structure (space group P63/m), in which the Ta2O9 face-sharing octahedral dimers are interconnected via corners to the regular BaO6 octahedra. To date, γ-Ba4Ta2O9 has never been obtained at room temperature (RT), because of the reduction of symmetry (P63/m → P21/c) that usually occurs during the cooling. Spectroscopic, optical, photocatalytic and electrical properties of the obtained γ-Ba4Ta2O9 phase were investigated. In addition to the experimental data, an absorption spectrum and bandstructure of the γ-Ba4Ta2O9 polymorph were calculated using the density functional theory.
Project / theme: 098-0982904-2946, 098-0982929-2916
Original language: eng
Citation databases: Current Contents Connect (CCC)
MEDLINE
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Category: Znanstveni
Research fields:
Physics,Chemistry
URL: http://pubs.acs.org/doi/abs/10.1021/ic402276e
Broj citata:
Altmetric:
DOI: 10.1021/ic402276e
URL cjelovitog rada:
Google Scholar: Ba4Ta2O9 Oxide Prepared from an Oxalate-Based Molecular Precursor—Characterization and Properties
Contrib. to CROSBI by: Lidija Androš (Lidija.Andros@irb.hr), 3. Pro. 2013. u 16:08 sati



  Print version   za tiskati


upomoc
foot_4