Experimental and Theoretical Studies of Calcium Fructoborate

Autores
Wagner, Claudia Cecilia; Ferraresi Curotto, Verónica; Pis Diez, Reinaldo; Baran, Enrique José
Año de publicación
2008
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Calcium fructoborate samples of composition Ca(C₆H₁₀O₆BO)₂·3.5H₂O were characterized by chemical analysis, infrared and Raman spectroscopy, and thermoanalytical (thermogravimetric and differential thermal analysis) data. Theoretical studies, using density functional theory, were made for seven different structural models of the fructoborate moiety, and the most stable structure could be derived from these calculations. The results of the theoretical study also allow improving the assignment of the vibrational spectra of the compound.
Facultad de Ciencias Exactas
Centro de Química Inorgánica
Materia
Química
Ingeniería Química
Calcium fructoborate
Thermal behavior
IR spectra
Raman spectra
DFT calculations
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/134706
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/134706
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Experimental and Theoretical Studies of Calcium FructoborateWagner, Claudia CeciliaFerraresi Curotto, VerónicaPis Diez, ReinaldoBaran, Enrique JoséQuímicaIngeniería QuímicaCalcium fructoborateThermal behaviorIR spectraRaman spectraDFT calculationsCalcium fructoborate samples of composition Ca(C₆H₁₀O₆BO)₂·3.5H₂O were characterized by chemical analysis, infrared and Raman spectroscopy, and thermoanalytical (thermogravimetric and differential thermal analysis) data. Theoretical studies, using density functional theory, were made for seven different structural models of the fructoborate moiety, and the most stable structure could be derived from these calculations. The results of the theoretical study also allow improving the assignment of the vibrational spectra of the compound.Facultad de Ciencias ExactasCentro de Química Inorgánica2008-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf64-72http://sedici.unlp.edu.ar/handle/10915/134706enginfo:eu-repo/semantics/altIdentifier/issn/0163-4984info:eu-repo/semantics/altIdentifier/issn/1559-0720info:eu-repo/semantics/altIdentifier/doi/10.1007/s12011-007-8060-0info:eu-repo/semantics/altIdentifier/pmid/18227977info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:31:56Zoai:sedici.unlp.edu.ar:10915/134706Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:31:57.242SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Experimental and Theoretical Studies of Calcium Fructoborate
title Experimental and Theoretical Studies of Calcium Fructoborate
spellingShingle Experimental and Theoretical Studies of Calcium Fructoborate
Wagner, Claudia Cecilia
Química
Ingeniería Química
Calcium fructoborate
Thermal behavior
IR spectra
Raman spectra
DFT calculations
title_short Experimental and Theoretical Studies of Calcium Fructoborate
title_full Experimental and Theoretical Studies of Calcium Fructoborate
title_fullStr Experimental and Theoretical Studies of Calcium Fructoborate
title_full_unstemmed Experimental and Theoretical Studies of Calcium Fructoborate
title_sort Experimental and Theoretical Studies of Calcium Fructoborate
dc.creator.none.fl_str_mv Wagner, Claudia Cecilia
Ferraresi Curotto, Verónica
Pis Diez, Reinaldo
Baran, Enrique José
author Wagner, Claudia Cecilia
author_facet Wagner, Claudia Cecilia
Ferraresi Curotto, Verónica
Pis Diez, Reinaldo
Baran, Enrique José
author_role author
author2 Ferraresi Curotto, Verónica
Pis Diez, Reinaldo
Baran, Enrique José
author2_role author
author
author
dc.subject.none.fl_str_mv Química
Ingeniería Química
Calcium fructoborate
Thermal behavior
IR spectra
Raman spectra
DFT calculations
topic Química
Ingeniería Química
Calcium fructoborate
Thermal behavior
IR spectra
Raman spectra
DFT calculations
dc.description.none.fl_txt_mv Calcium fructoborate samples of composition Ca(C₆H₁₀O₆BO)₂·3.5H₂O were characterized by chemical analysis, infrared and Raman spectroscopy, and thermoanalytical (thermogravimetric and differential thermal analysis) data. Theoretical studies, using density functional theory, were made for seven different structural models of the fructoborate moiety, and the most stable structure could be derived from these calculations. The results of the theoretical study also allow improving the assignment of the vibrational spectra of the compound.
Facultad de Ciencias Exactas
Centro de Química Inorgánica
description Calcium fructoborate samples of composition Ca(C₆H₁₀O₆BO)₂·3.5H₂O were characterized by chemical analysis, infrared and Raman spectroscopy, and thermoanalytical (thermogravimetric and differential thermal analysis) data. Theoretical studies, using density functional theory, were made for seven different structural models of the fructoborate moiety, and the most stable structure could be derived from these calculations. The results of the theoretical study also allow improving the assignment of the vibrational spectra of the compound.
publishDate 2008
dc.date.none.fl_str_mv 2008-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/134706
url http://sedici.unlp.edu.ar/handle/10915/134706
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0163-4984
info:eu-repo/semantics/altIdentifier/issn/1559-0720
info:eu-repo/semantics/altIdentifier/doi/10.1007/s12011-007-8060-0
info:eu-repo/semantics/altIdentifier/pmid/18227977
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
64-72
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.070432

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