Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide...

Autores
Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio Federico; Stoeckli Evans, Helen; Della Vedova, Carlos Omar
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
New phosphoramidates with the formula RC(O)N(H)P(O)X2, R = 2-NO2-C6H4, 3-NO2-C 6H4 and 4-NO2-C6H4, X = N(CH2CH3) (1)-(3), NC4H8 (4)-(6), and NC 4H8O (7)-(9) were synthesized and characterized by 1H, 13C, 31P NMR and IR spectroscopy, and elemental analysis. The reaction of (9) with hydrated lanthanide(III) nitrate leads to ten-or nine-coordinated complexes, (10)-(13). The crystal structure has been determined for (3), (5), (9), (10) and (13). In contrast to all of the previously reported similar phosphoramidate compounds, the-C(O)-N(H)-P(O) skeleton in the free ligand (9) shows a cisoid conformation, with the C=O and P=O double bonds adopting a nearly syn conformation. Quantum chemical calculations were applied for clarifying this exceptional conformational behavior. The monodentate neutral ligand (9) is coordinated to the metal ions via the phosphoryl O atom, adopting the usual anti conformation between the C=O and P=O groups. © 2010 International Union of Crystallography Printed in Singapore - all rights reserved.
Fil: Gholivand, Khodayar. Tarbiat Modares University; Irán
Fil: Mostaanzadeh, Hossein. Tarbiat Modares University; Irán
Fil: Koval, Tomas. Academy of Sciences of the Czech Republic. Institute of Physics; República Checa
Fil: Dusek, Michal. Academy of Sciences of the Czech Republic. Institute of Physics; República Checa
Fil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Stoeckli Evans, Helen. Universite de Neuchatel; Suiza
Fil: Della Vedova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina. Comision de Investigaciones Cientificas de la Provincia de Buenos Aires. Unidad Plapimu Laseisic.; Argentina
Materia
COUPLING PATTERNS OF PROTONS
IR SPECTROSCOPY
NMR SPECTROSCOPY
PHOSPHORAMIDATES
QUANTUM CHEMICAL CALCULATIONS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
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oai:ri.conicet.gov.ar:11336/151620
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/151620
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamideGholivand, KhodayarMostaanzadeh, HosseinKoval, TomasDusek, MichalErben, Mauricio FedericoStoeckli Evans, HelenDella Vedova, Carlos OmarCOUPLING PATTERNS OF PROTONSIR SPECTROSCOPYNMR SPECTROSCOPYPHOSPHORAMIDATESQUANTUM CHEMICAL CALCULATIONShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1New phosphoramidates with the formula RC(O)N(H)P(O)X2, R = 2-NO2-C6H4, 3-NO2-C 6H4 and 4-NO2-C6H4, X = N(CH2CH3) (1)-(3), NC4H8 (4)-(6), and NC 4H8O (7)-(9) were synthesized and characterized by 1H, 13C, 31P NMR and IR spectroscopy, and elemental analysis. The reaction of (9) with hydrated lanthanide(III) nitrate leads to ten-or nine-coordinated complexes, (10)-(13). The crystal structure has been determined for (3), (5), (9), (10) and (13). In contrast to all of the previously reported similar phosphoramidate compounds, the-C(O)-N(H)-P(O) skeleton in the free ligand (9) shows a cisoid conformation, with the C=O and P=O double bonds adopting a nearly syn conformation. Quantum chemical calculations were applied for clarifying this exceptional conformational behavior. The monodentate neutral ligand (9) is coordinated to the metal ions via the phosphoryl O atom, adopting the usual anti conformation between the C=O and P=O groups. © 2010 International Union of Crystallography Printed in Singapore - all rights reserved.Fil: Gholivand, Khodayar. Tarbiat Modares University; IránFil: Mostaanzadeh, Hossein. Tarbiat Modares University; IránFil: Koval, Tomas. Academy of Sciences of the Czech Republic. Institute of Physics; República ChecaFil: Dusek, Michal. Academy of Sciences of the Czech Republic. Institute of Physics; República ChecaFil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Stoeckli Evans, Helen. Universite de Neuchatel; SuizaFil: Della Vedova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina. Comision de Investigaciones Cientificas de la Provincia de Buenos Aires. Unidad Plapimu Laseisic.; ArgentinaWiley Blackwell Publishing, Inc2010-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/151620Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio Federico; et al.; Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section B-Structural Science; 66; 4; 8-2010; 441-4500108-7681CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1107/S0108768110018550info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0108768110018550info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:48:06Zoai:ri.conicet.gov.ar:11336/151620instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:48:06.278CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide
title Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide
spellingShingle Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide
Gholivand, Khodayar
COUPLING PATTERNS OF PROTONS
IR SPECTROSCOPY
NMR SPECTROSCOPY
PHOSPHORAMIDATES
QUANTUM CHEMICAL CALCULATIONS
title_short Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide
title_full Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide
title_fullStr Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide
title_full_unstemmed Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide
title_sort Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide
dc.creator.none.fl_str_mv Gholivand, Khodayar
Mostaanzadeh, Hossein
Koval, Tomas
Dusek, Michal
Erben, Mauricio Federico
Stoeckli Evans, Helen
Della Vedova, Carlos Omar
author Gholivand, Khodayar
author_facet Gholivand, Khodayar
Mostaanzadeh, Hossein
Koval, Tomas
Dusek, Michal
Erben, Mauricio Federico
Stoeckli Evans, Helen
Della Vedova, Carlos Omar
author_role author
author2 Mostaanzadeh, Hossein
Koval, Tomas
Dusek, Michal
Erben, Mauricio Federico
Stoeckli Evans, Helen
Della Vedova, Carlos Omar
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv COUPLING PATTERNS OF PROTONS
IR SPECTROSCOPY
NMR SPECTROSCOPY
PHOSPHORAMIDATES
QUANTUM CHEMICAL CALCULATIONS
topic COUPLING PATTERNS OF PROTONS
IR SPECTROSCOPY
NMR SPECTROSCOPY
PHOSPHORAMIDATES
QUANTUM CHEMICAL CALCULATIONS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv New phosphoramidates with the formula RC(O)N(H)P(O)X2, R = 2-NO2-C6H4, 3-NO2-C 6H4 and 4-NO2-C6H4, X = N(CH2CH3) (1)-(3), NC4H8 (4)-(6), and NC 4H8O (7)-(9) were synthesized and characterized by 1H, 13C, 31P NMR and IR spectroscopy, and elemental analysis. The reaction of (9) with hydrated lanthanide(III) nitrate leads to ten-or nine-coordinated complexes, (10)-(13). The crystal structure has been determined for (3), (5), (9), (10) and (13). In contrast to all of the previously reported similar phosphoramidate compounds, the-C(O)-N(H)-P(O) skeleton in the free ligand (9) shows a cisoid conformation, with the C=O and P=O double bonds adopting a nearly syn conformation. Quantum chemical calculations were applied for clarifying this exceptional conformational behavior. The monodentate neutral ligand (9) is coordinated to the metal ions via the phosphoryl O atom, adopting the usual anti conformation between the C=O and P=O groups. © 2010 International Union of Crystallography Printed in Singapore - all rights reserved.
Fil: Gholivand, Khodayar. Tarbiat Modares University; Irán
Fil: Mostaanzadeh, Hossein. Tarbiat Modares University; Irán
Fil: Koval, Tomas. Academy of Sciences of the Czech Republic. Institute of Physics; República Checa
Fil: Dusek, Michal. Academy of Sciences of the Czech Republic. Institute of Physics; República Checa
Fil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Stoeckli Evans, Helen. Universite de Neuchatel; Suiza
Fil: Della Vedova, Carlos Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina. Comision de Investigaciones Cientificas de la Provincia de Buenos Aires. Unidad Plapimu Laseisic.; Argentina
description New phosphoramidates with the formula RC(O)N(H)P(O)X2, R = 2-NO2-C6H4, 3-NO2-C 6H4 and 4-NO2-C6H4, X = N(CH2CH3) (1)-(3), NC4H8 (4)-(6), and NC 4H8O (7)-(9) were synthesized and characterized by 1H, 13C, 31P NMR and IR spectroscopy, and elemental analysis. The reaction of (9) with hydrated lanthanide(III) nitrate leads to ten-or nine-coordinated complexes, (10)-(13). The crystal structure has been determined for (3), (5), (9), (10) and (13). In contrast to all of the previously reported similar phosphoramidate compounds, the-C(O)-N(H)-P(O) skeleton in the free ligand (9) shows a cisoid conformation, with the C=O and P=O double bonds adopting a nearly syn conformation. Quantum chemical calculations were applied for clarifying this exceptional conformational behavior. The monodentate neutral ligand (9) is coordinated to the metal ions via the phosphoryl O atom, adopting the usual anti conformation between the C=O and P=O groups. © 2010 International Union of Crystallography Printed in Singapore - all rights reserved.
publishDate 2010
dc.date.none.fl_str_mv 2010-08
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
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://hdl.handle.net/11336/151620
Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio Federico; et al.; Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section B-Structural Science; 66; 4; 8-2010; 441-450
0108-7681
CONICET Digital
CONICET
url http://hdl.handle.net/11336/151620
identifier_str_mv Gholivand, Khodayar; Mostaanzadeh, Hossein; Koval, Tomas; Dusek, Michal; Erben, Mauricio Federico; et al.; Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes of N-(4-nitrobenzoyl)-N′, N′′-bis(morpholino)phosphoric triamide; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section B-Structural Science; 66; 4; 8-2010; 441-450
0108-7681
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1107/S0108768110018550
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0108768110018550
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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