Document Detail


Structural characterization of tellurite glasses doped with transition metal oxides using Raman spectra and ab initio calculations.
MedLine Citation:
PMID:  16098796     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Systems of iron tellurite glasses were prepared by melt quenching with compositions of [85%TeO2+5%Fe2O3+10%TMO], where transition metal oxides (TMO) are TiO2, V2O5, MnO, CoO, NiO and CuO. Furthermore, the main structural units of these samples have been characterized by means of Raman spectra (150-1200 cm(-1)) as well as wavenumber predictions by means of Gaussian 98 ab initio calculations for the proposed site symmetries of TeO4(4-) triagonal bipyramid (C2v) and Te2O7(6-) bridged tetrahedra (Cs and C1). Aided by normal coordinate analysis, calculated vibrational frequencies, Raman scattering activities, force constants in internal coordinates and potential energy distributions (PEDs), revised vibrational assignments for the fundamental modes have been proposed. The main structural features are correlated to the dominant units of triagonal bipyramid (tbp) or bridged tetrahedral (TeO3+1 binds to TeO3 through TeOTe bridge; corner sharing). Moreover, the Raman spectra of the investigated tellurites reflect a structural change from tbp (coordination number is four) to triagonal pyramidal (coordination number is three).
Authors:
Tarek A Mohamed; I Shaltout; K M Al Yahyaei
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't     Date:  2005-08-10
Journal Detail:
Title:  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy     Volume:  64     ISSN:  1386-1425     ISO Abbreviation:  Spectrochim Acta A Mol Biomol Spectrosc     Publication Date:  2006 May 
Date Detail:
Created Date:  2006-04-17     Completed Date:  2006-08-01     Revised Date:  2006-11-15    
Medline Journal Info:
Nlm Unique ID:  9602533     Medline TA:  Spectrochim Acta A Mol Biomol Spectrosc     Country:  England    
Other Details:
Languages:  eng     Pagination:  106-15     Citation Subset:  IM    
Affiliation:
Department of Chemistry, Faculty of Science (Boys), Al-Azhar University, Nasr City, 11884 Cairo, Egypt. tarekama@hotmail.com
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MeSH Terms
Descriptor/Qualifier:
Glass / chemistry*
Metals / chemistry
Oxides / chemistry
Spectrum Analysis, Raman
Tellurium / chemistry*
Transition Elements / chemistry*
Chemical
Reg. No./Substance:
0/Metals; 0/Oxides; 0/Transition Elements; 10049-23-7/tellurous acid; 13494-80-9/Tellurium

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