SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.

Detalhes bibliográficos
Autor(a) principal: López, Andrés
Data de Publicação: 2015
Outros Autores: Cipriano, Ricardo Augusto Scholz, Frost, Ray Leslie, Belotti, Fernanda Maria
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFOP
Texto Completo: http://www.repositorio.ufop.br/handle/123456789/6190
https://doi.org/10.1016/j.molstruc.2014.10.017
Resumo: The mineral ushkovite has been analyzed using a combination of electron microscopy with EDX and vibrational spectroscopy. Chemical analysis shows the mineral contains P, Mg with very minor Fe. Thus, the formula of the studied ushkovite is Mg3 2+(PO4)2 8H2O. The Raman spectrum shows an intense band at 953 cm 1 assigned to the m1 symmetric stretching mode. In the infrared spectra complexity exists with multiple antisymmetric stretching vibrations observed, due to the reduced tetrahedral symmetry. This loss of degeneracy is also reflected in the bending modes. Strong infrared bands around 827 cm 1 are attributed to water librational modes. The Raman spectra of the hydroxyl-stretching region are complex with overlapping broad bands. Hydroxyl stretching vibrations are identified at 2881, 2998, 3107, 3203, 3284 and 3457 cm 1. The wavenumber band at 3457 cm 1 is attributed to the presence of FeOH groups. This complexity is reflected in the water HOH bending modes where a strong infrared band centered around 1653 cm 1 is found. Such a band reflects the strong hydrogen bonding of the water molecules to the phosphate anions in adjacent layers. Spectra show three distinct OH bending bands from strongly hydrogen-bonded, weakly hydrogen bonded water and non-hydrogen bonded water. Vibrational spectroscopy enhances our knowledge of the molecular structure of ushkovite.
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spelling López, AndrésCipriano, Ricardo Augusto ScholzFrost, Ray LeslieBelotti, Fernanda Maria2016-01-21T12:15:44Z2016-01-21T12:15:44Z2015LOPÉZ, A. et al. SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure. Journal of Molecular Structure, v. 1081, p. 329-333, 2015. Disponível em: <http://www.sciencedirect.com/science/article/pii/S0022286014010199>. Acesso em: 08 set. 2015.0022-2860http://www.repositorio.ufop.br/handle/123456789/6190https://doi.org/10.1016/j.molstruc.2014.10.017The mineral ushkovite has been analyzed using a combination of electron microscopy with EDX and vibrational spectroscopy. Chemical analysis shows the mineral contains P, Mg with very minor Fe. Thus, the formula of the studied ushkovite is Mg3 2+(PO4)2 8H2O. The Raman spectrum shows an intense band at 953 cm 1 assigned to the m1 symmetric stretching mode. In the infrared spectra complexity exists with multiple antisymmetric stretching vibrations observed, due to the reduced tetrahedral symmetry. This loss of degeneracy is also reflected in the bending modes. Strong infrared bands around 827 cm 1 are attributed to water librational modes. The Raman spectra of the hydroxyl-stretching region are complex with overlapping broad bands. Hydroxyl stretching vibrations are identified at 2881, 2998, 3107, 3203, 3284 and 3457 cm 1. The wavenumber band at 3457 cm 1 is attributed to the presence of FeOH groups. This complexity is reflected in the water HOH bending modes where a strong infrared band centered around 1653 cm 1 is found. Such a band reflects the strong hydrogen bonding of the water molecules to the phosphate anions in adjacent layers. Spectra show three distinct OH bending bands from strongly hydrogen-bonded, weakly hydrogen bonded water and non-hydrogen bonded water. Vibrational spectroscopy enhances our knowledge of the molecular structure of ushkovite.UshkovitePhosphateHydroxylRaman spectroscopySEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleO periódico Journal of Molecular Structure concede permissão para depósito deste artigo no Repositório Institucional da UFOP. 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dc.title.pt_BR.fl_str_mv SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.
title SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.
spellingShingle SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.
López, Andrés
Ushkovite
Phosphate
Hydroxyl
Raman spectroscopy
title_short SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.
title_full SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.
title_fullStr SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.
title_full_unstemmed SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.
title_sort SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.
author López, Andrés
author_facet López, Andrés
Cipriano, Ricardo Augusto Scholz
Frost, Ray Leslie
Belotti, Fernanda Maria
author_role author
author2 Cipriano, Ricardo Augusto Scholz
Frost, Ray Leslie
Belotti, Fernanda Maria
author2_role author
author
author
dc.contributor.author.fl_str_mv López, Andrés
Cipriano, Ricardo Augusto Scholz
Frost, Ray Leslie
Belotti, Fernanda Maria
dc.subject.por.fl_str_mv Ushkovite
Phosphate
Hydroxyl
Raman spectroscopy
topic Ushkovite
Phosphate
Hydroxyl
Raman spectroscopy
description The mineral ushkovite has been analyzed using a combination of electron microscopy with EDX and vibrational spectroscopy. Chemical analysis shows the mineral contains P, Mg with very minor Fe. Thus, the formula of the studied ushkovite is Mg3 2+(PO4)2 8H2O. The Raman spectrum shows an intense band at 953 cm 1 assigned to the m1 symmetric stretching mode. In the infrared spectra complexity exists with multiple antisymmetric stretching vibrations observed, due to the reduced tetrahedral symmetry. This loss of degeneracy is also reflected in the bending modes. Strong infrared bands around 827 cm 1 are attributed to water librational modes. The Raman spectra of the hydroxyl-stretching region are complex with overlapping broad bands. Hydroxyl stretching vibrations are identified at 2881, 2998, 3107, 3203, 3284 and 3457 cm 1. The wavenumber band at 3457 cm 1 is attributed to the presence of FeOH groups. This complexity is reflected in the water HOH bending modes where a strong infrared band centered around 1653 cm 1 is found. Such a band reflects the strong hydrogen bonding of the water molecules to the phosphate anions in adjacent layers. Spectra show three distinct OH bending bands from strongly hydrogen-bonded, weakly hydrogen bonded water and non-hydrogen bonded water. Vibrational spectroscopy enhances our knowledge of the molecular structure of ushkovite.
publishDate 2015
dc.date.issued.fl_str_mv 2015
dc.date.accessioned.fl_str_mv 2016-01-21T12:15:44Z
dc.date.available.fl_str_mv 2016-01-21T12:15:44Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
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dc.identifier.citation.fl_str_mv LOPÉZ, A. et al. SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure. Journal of Molecular Structure, v. 1081, p. 329-333, 2015. Disponível em: <http://www.sciencedirect.com/science/article/pii/S0022286014010199>. Acesso em: 08 set. 2015.
dc.identifier.uri.fl_str_mv http://www.repositorio.ufop.br/handle/123456789/6190
dc.identifier.issn.none.fl_str_mv 0022-2860
dc.identifier.doi.none.fl_str_mv https://doi.org/10.1016/j.molstruc.2014.10.017
identifier_str_mv LOPÉZ, A. et al. SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure. Journal of Molecular Structure, v. 1081, p. 329-333, 2015. Disponível em: <http://www.sciencedirect.com/science/article/pii/S0022286014010199>. Acesso em: 08 set. 2015.
0022-2860
url http://www.repositorio.ufop.br/handle/123456789/6190
https://doi.org/10.1016/j.molstruc.2014.10.017
dc.language.iso.fl_str_mv eng
language eng
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reponame_str Repositório Institucional da UFOP
collection Repositório Institucional da UFOP
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