Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates
Autor(a) principal: | |
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Data de Publicação: | 2001 |
Outros Autores: | , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10316/3885 https://doi.org/10.1016/S0925-8388(01)01153-7 |
Resumo: | The three main methods available in the literature for lanthanide-induced shift (LIS) structural analysis of a series of lanthanide(III) complexes in solution are applied to the data available for a complete series of paramagnetic lanthanide cryptate complexes of a Schiff base axial macrobicyclic ligand L, [LnL]3+. The macrobicycle contracts its cavity as a result of the lanthanide contraction, while preserving the same overall structure in solution. This causes breaks in the LIS plots for all the three methods used. A combined analysis of the data allows to conclude that those breaks reflect abrupt changes of the crystal field parameter A20<r2> and the hyperfine constants Fi of the lanthanides in the middle of the series, but not of the structure of the complex in solution. |
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Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptatesParamagnetic effectsLanthanide-induced shiftsSolution structuresCryptateThe three main methods available in the literature for lanthanide-induced shift (LIS) structural analysis of a series of lanthanide(III) complexes in solution are applied to the data available for a complete series of paramagnetic lanthanide cryptate complexes of a Schiff base axial macrobicyclic ligand L, [LnL]3+. The macrobicycle contracts its cavity as a result of the lanthanide contraction, while preserving the same overall structure in solution. This causes breaks in the LIS plots for all the three methods used. A combined analysis of the data allows to conclude that those breaks reflect abrupt changes of the crystal field parameter A20<r2> and the hyperfine constants Fi of the lanthanides in the middle of the series, but not of the structure of the complex in solution.http://www.sciencedirect.com/science/article/B6TWY-43BXWKG-8F/1/4616e022583602507b74136161dfff322001info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/3885http://hdl.handle.net/10316/3885https://doi.org/10.1016/S0925-8388(01)01153-7engJournal of Alloys and Compounds. 323-324:(2001) 824-827Geraldes, Carlos F. G. C.Zhang, ShanrongPlatas, C.Rodríguez-Blas, T.Blas, A. deSherry, A. D.info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2021-10-26T13:36:50Zoai:estudogeral.uc.pt:10316/3885Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T20:55:47.382539Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates |
title |
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates |
spellingShingle |
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates Geraldes, Carlos F. G. C. Paramagnetic effects Lanthanide-induced shifts Solution structures Cryptate |
title_short |
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates |
title_full |
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates |
title_fullStr |
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates |
title_full_unstemmed |
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates |
title_sort |
Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: a case of lanthanide(III) cryptates |
author |
Geraldes, Carlos F. G. C. |
author_facet |
Geraldes, Carlos F. G. C. Zhang, Shanrong Platas, C. Rodríguez-Blas, T. Blas, A. de Sherry, A. D. |
author_role |
author |
author2 |
Zhang, Shanrong Platas, C. Rodríguez-Blas, T. Blas, A. de Sherry, A. D. |
author2_role |
author author author author author |
dc.contributor.author.fl_str_mv |
Geraldes, Carlos F. G. C. Zhang, Shanrong Platas, C. Rodríguez-Blas, T. Blas, A. de Sherry, A. D. |
dc.subject.por.fl_str_mv |
Paramagnetic effects Lanthanide-induced shifts Solution structures Cryptate |
topic |
Paramagnetic effects Lanthanide-induced shifts Solution structures Cryptate |
description |
The three main methods available in the literature for lanthanide-induced shift (LIS) structural analysis of a series of lanthanide(III) complexes in solution are applied to the data available for a complete series of paramagnetic lanthanide cryptate complexes of a Schiff base axial macrobicyclic ligand L, [LnL]3+. The macrobicycle contracts its cavity as a result of the lanthanide contraction, while preserving the same overall structure in solution. This causes breaks in the LIS plots for all the three methods used. A combined analysis of the data allows to conclude that those breaks reflect abrupt changes of the crystal field parameter A20<r2> and the hyperfine constants Fi of the lanthanides in the middle of the series, but not of the structure of the complex in solution. |
publishDate |
2001 |
dc.date.none.fl_str_mv |
2001 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10316/3885 http://hdl.handle.net/10316/3885 https://doi.org/10.1016/S0925-8388(01)01153-7 |
url |
http://hdl.handle.net/10316/3885 https://doi.org/10.1016/S0925-8388(01)01153-7 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Journal of Alloys and Compounds. 323-324:(2001) 824-827 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
aplication/PDF |
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reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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