TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT

Detalhes bibliográficos
Autor(a) principal: Noda,Lucia Kiyomi
Data de Publicação: 2019
Outros Autores: Sensato,Fabricio Ronil, Gonçalves,Norberto Sanches
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422019004901112
Resumo: In this work, anhydrous titanyl sulfate (TiOSO4) was synthesized and characterized by elemental analyses and vibrational spectroscopy by the first time. In order to verify the stability of the crystallographic structure reported in the literature, an optimization calculation of the unit cell geometry was done with the CRYSTAL17 software, and the agreement with the experimental results was very good. Raman, infrared and far infrared spectra were obtained, the bands having been tentatively assigned, based on literature data for similar systems. Essentially, the spectra exhibit the vibrational modes of the sulfate anion splitted by the low local symmetry along with the bands of the TiO6 skeleton. The Raman spectra shows two intense bands, tentatively assigned to Ti-O modes.
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spelling TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENTtitanyl sulfateRaman spectroscopyinfrared spectroscopysolid state ab initio calculationCRYSTAL17In this work, anhydrous titanyl sulfate (TiOSO4) was synthesized and characterized by elemental analyses and vibrational spectroscopy by the first time. In order to verify the stability of the crystallographic structure reported in the literature, an optimization calculation of the unit cell geometry was done with the CRYSTAL17 software, and the agreement with the experimental results was very good. Raman, infrared and far infrared spectra were obtained, the bands having been tentatively assigned, based on literature data for similar systems. Essentially, the spectra exhibit the vibrational modes of the sulfate anion splitted by the low local symmetry along with the bands of the TiO6 skeleton. The Raman spectra shows two intense bands, tentatively assigned to Ti-O modes.Sociedade Brasileira de Química2019-09-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422019004901112Química Nova v.42 n.9 2019reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0100-4042.20170427info:eu-repo/semantics/openAccessNoda,Lucia KiyomiSensato,Fabricio RonilGonçalves,Norberto Sancheseng2019-12-09T00:00:00Zoai:scielo:S0100-40422019004901112Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2019-12-09T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
title TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
spellingShingle TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
Noda,Lucia Kiyomi
titanyl sulfate
Raman spectroscopy
infrared spectroscopy
solid state ab initio calculation
CRYSTAL17
title_short TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
title_full TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
title_fullStr TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
title_full_unstemmed TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
title_sort TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT
author Noda,Lucia Kiyomi
author_facet Noda,Lucia Kiyomi
Sensato,Fabricio Ronil
Gonçalves,Norberto Sanches
author_role author
author2 Sensato,Fabricio Ronil
Gonçalves,Norberto Sanches
author2_role author
author
dc.contributor.author.fl_str_mv Noda,Lucia Kiyomi
Sensato,Fabricio Ronil
Gonçalves,Norberto Sanches
dc.subject.por.fl_str_mv titanyl sulfate
Raman spectroscopy
infrared spectroscopy
solid state ab initio calculation
CRYSTAL17
topic titanyl sulfate
Raman spectroscopy
infrared spectroscopy
solid state ab initio calculation
CRYSTAL17
description In this work, anhydrous titanyl sulfate (TiOSO4) was synthesized and characterized by elemental analyses and vibrational spectroscopy by the first time. In order to verify the stability of the crystallographic structure reported in the literature, an optimization calculation of the unit cell geometry was done with the CRYSTAL17 software, and the agreement with the experimental results was very good. Raman, infrared and far infrared spectra were obtained, the bands having been tentatively assigned, based on literature data for similar systems. Essentially, the spectra exhibit the vibrational modes of the sulfate anion splitted by the low local symmetry along with the bands of the TiO6 skeleton. The Raman spectra shows two intense bands, tentatively assigned to Ti-O modes.
publishDate 2019
dc.date.none.fl_str_mv 2019-09-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422019004901112
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422019004901112
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.21577/0100-4042.20170427
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Química Nova v.42 n.9 2019
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
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