Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations

Zampieri, M.; Lazaro, S. R.; Paskocimas, Carlos Alberto; Ferreira, A. G.; Silva, Elson Longo da; Varela, José A.

Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations

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dc.contributor.author	Zampieri, M.
dc.contributor.author	Lazaro, S. R.
dc.contributor.author	Paskocimas, Carlos Alberto
dc.contributor.author	Ferreira, A. G.
dc.contributor.author	Silva, Elson Longo da
dc.contributor.author	Varela, José A.
dc.date.accessioned	2021-04-19T18:19:48Z
dc.date.available	2021-04-19T18:19:48Z
dc.date.issued	2006-01-02
dc.description.resumo	Titanium citrate and lead and titanium citrate were prepared by polymeric precursor method in aqueous solution. This citrate was analyzed by 1H, 13C NMR and gHMBC–NMR (Hetero-nuclear multiple-bond correlation) to investigate the formation of the citrate complexs and influence of the Pb2+ ion in this complex. These complexs were characterized by interaction between Ti4+ ion and citric acid carboxyls. Quantum mechanic simulations in level ab initio were used to study the electronic structure and natural charges (NBO) to both the complexs. Such techniques indicated the formation of an octahedral complex with an arrangement similar to Ti atom in the crystalline structure of the PbTiO3. A study using the technique FT-Raman made possible the confirmation of the interaction among the Ti4+ and Pb2+ ions with the citric acid carboxyls	pt_BR
dc.identifier.citation	ZAMPIERI, M.; LAZARO, S. R.; PASKOCIMAS, C. A.; FERREIRA, A. G.; LONGO, E.; VARELA, J. A.. Structural Analysis of Ti And Pb Citrate Using NMR and FT-Raman Signals and Quantum Mechanics Simulations. Journal of Sol-Gel Science and Technology, [S.L.], v. 37, n. 1, p. 9-17, jan. 2006. Disponível em: https://link.springer.com/article/10.1007%2Fs10971-005-4892-2. Acesso em: 18 mar. 2021. http://dx.doi.org/10.1007/s10971-005-4892-2.	pt_BR
dc.identifier.doi	10.1007/s10971-005-4892-2.
dc.identifier.issn	0928-0707
dc.identifier.issn	1573-4846
dc.identifier.uri	https://repositorio.ufrn.br/handle/123456789/32278
dc.language	en	pt_BR
dc.publisher	Springer	pt_BR
dc.rights	Attribution 3.0 Brazil	*
dc.rights.uri	http://creativecommons.org/licenses/by/3.0/br/	*
dc.subject	Sol-Gel	pt_BR
dc.subject	NMR	pt_BR
dc.subject	FT-Raman	pt_BR
dc.subject	PbTiO3	pt_BR
dc.subject	Quantum mechanic simulation	pt_BR
dc.title	Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations	pt_BR
dc.type	article	pt_BR