Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(...

Autores
Freire Espeleta, Eleonora; Quintero, Mariano Horacio; Vega, Daniel Roberto; Baggio, Ricardo Fortunato
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The synthesis, X-ray structure and magnetic properties of two new zoledronato complexes are presented: Mn(II)(H3Zol)2(H 2O)2, (I) and Fe(III)15(HZol) 10(H2Zol)2 (H2O)24 (2/3Cl:1/3H2O)6·7Cl·65(H2O) (II), where H4Zol = zoledronic acid = C5H10N 2O7P2. Complex (I) is a dimer, built up around an inversion centre where the cation is located, surrounded by two chelating zoledronate anions and two water molecules. The structure is isomorphous to the Co, Ni and Zn isologues. A quite different structure is the Fe(III) complex which consists of a centrosymmetric cluster with 15 Fe(III) cations (one of them at the inversion centre), 12 zoledronate anions, in different protonation states and 26 coordinated water molecules, 24 of which show full occupancy and the remaining 2 share 6 coordination sites with 4 chlorine anions. There are in addition 7 chlorine counterions and a not well determined number of hydration water molecules, their number being adjusted as to match the chemical and TGA analysis. The general shape of the molecule is that of a 6 arm propeller with a Fe(III) cation at its center and two FeO6 coordination polyhedra sitting above and below, defining some sort of "paddle wheel axis", perpendicular to the wheel plane. Around this axis there is an almost perfect circular structure formed by other six FeO6 octahedra, to which the "paddles", defined by the remaining six FeO6 groups attach. The ensemble presents some unusual (Fe···OPO)n loops (n = 2,3,4), some of them unreported, and displays a striking non-crystallographic -3 symmetry. The protonation state of the zoledronato ligands were inferred from the counterions effectively found and charge balance considerations. Both compounds present a paramagnetic behaviour at R.T, and obey a Curie Weiss law down to rather low temperatures (15 K for (I), 100(K) for (II)) with a tendency to different types of interactions viz., ferromagnetic for (I) and antiferromagnetic for (II). The geometry of the F15 cluster is analyzed. © 2012 Elsevier B.V. All rights reserved.
Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Quintero, Mariano Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Vega, Daniel Roberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
Materia
Fe15 Iron Cluster
Magnetic Behaviour
Zoledronate Complexes
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acceso abierto
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Consejo Nacional de Investigaciones Científicas y Técnicas
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spelling Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)Freire Espeleta, EleonoraQuintero, Mariano HoracioVega, Daniel RobertoBaggio, Ricardo FortunatoFe15 Iron ClusterMagnetic BehaviourZoledronate Complexeshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The synthesis, X-ray structure and magnetic properties of two new zoledronato complexes are presented: Mn(II)(H3Zol)2(H 2O)2, (I) and Fe(III)15(HZol) 10(H2Zol)2 (H2O)24 (2/3Cl:1/3H2O)6·7Cl·65(H2O) (II), where H4Zol = zoledronic acid = C5H10N 2O7P2. Complex (I) is a dimer, built up around an inversion centre where the cation is located, surrounded by two chelating zoledronate anions and two water molecules. The structure is isomorphous to the Co, Ni and Zn isologues. A quite different structure is the Fe(III) complex which consists of a centrosymmetric cluster with 15 Fe(III) cations (one of them at the inversion centre), 12 zoledronate anions, in different protonation states and 26 coordinated water molecules, 24 of which show full occupancy and the remaining 2 share 6 coordination sites with 4 chlorine anions. There are in addition 7 chlorine counterions and a not well determined number of hydration water molecules, their number being adjusted as to match the chemical and TGA analysis. The general shape of the molecule is that of a 6 arm propeller with a Fe(III) cation at its center and two FeO6 coordination polyhedra sitting above and below, defining some sort of "paddle wheel axis", perpendicular to the wheel plane. Around this axis there is an almost perfect circular structure formed by other six FeO6 octahedra, to which the "paddles", defined by the remaining six FeO6 groups attach. The ensemble presents some unusual (Fe···OPO)n loops (n = 2,3,4), some of them unreported, and displays a striking non-crystallographic -3 symmetry. The protonation state of the zoledronato ligands were inferred from the counterions effectively found and charge balance considerations. Both compounds present a paramagnetic behaviour at R.T, and obey a Curie Weiss law down to rather low temperatures (15 K for (I), 100(K) for (II)) with a tendency to different types of interactions viz., ferromagnetic for (I) and antiferromagnetic for (II). The geometry of the F15 cluster is analyzed. © 2012 Elsevier B.V. All rights reserved.Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; ArgentinaFil: Quintero, Mariano Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; ArgentinaFil: Vega, Daniel Roberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; ArgentinaFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; ArgentinaElsevier Science Sa2013-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/77857Freire Espeleta, Eleonora; Quintero, Mariano Horacio; Vega, Daniel Roberto; Baggio, Ricardo Fortunato; Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid); Elsevier Science Sa; Inorganica Chimica Acta; 394; 1-2013; 229-2360020-1693CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0020169312004409info:eu-repo/semantics/altIdentifier/doi/10.1016/j.ica.2012.06.045info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:53:06Zoai:ri.conicet.gov.ar:11336/77857instacron: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 09:53:06.379CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
title Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
spellingShingle Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
Freire Espeleta, Eleonora
Fe15 Iron Cluster
Magnetic Behaviour
Zoledronate Complexes
title_short Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
title_full Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
title_fullStr Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
title_full_unstemmed Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
title_sort Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
dc.creator.none.fl_str_mv Freire Espeleta, Eleonora
Quintero, Mariano Horacio
Vega, Daniel Roberto
Baggio, Ricardo Fortunato
author Freire Espeleta, Eleonora
author_facet Freire Espeleta, Eleonora
Quintero, Mariano Horacio
Vega, Daniel Roberto
Baggio, Ricardo Fortunato
author_role author
author2 Quintero, Mariano Horacio
Vega, Daniel Roberto
Baggio, Ricardo Fortunato
author2_role author
author
author
dc.subject.none.fl_str_mv Fe15 Iron Cluster
Magnetic Behaviour
Zoledronate Complexes
topic Fe15 Iron Cluster
Magnetic Behaviour
Zoledronate Complexes
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The synthesis, X-ray structure and magnetic properties of two new zoledronato complexes are presented: Mn(II)(H3Zol)2(H 2O)2, (I) and Fe(III)15(HZol) 10(H2Zol)2 (H2O)24 (2/3Cl:1/3H2O)6·7Cl·65(H2O) (II), where H4Zol = zoledronic acid = C5H10N 2O7P2. Complex (I) is a dimer, built up around an inversion centre where the cation is located, surrounded by two chelating zoledronate anions and two water molecules. The structure is isomorphous to the Co, Ni and Zn isologues. A quite different structure is the Fe(III) complex which consists of a centrosymmetric cluster with 15 Fe(III) cations (one of them at the inversion centre), 12 zoledronate anions, in different protonation states and 26 coordinated water molecules, 24 of which show full occupancy and the remaining 2 share 6 coordination sites with 4 chlorine anions. There are in addition 7 chlorine counterions and a not well determined number of hydration water molecules, their number being adjusted as to match the chemical and TGA analysis. The general shape of the molecule is that of a 6 arm propeller with a Fe(III) cation at its center and two FeO6 coordination polyhedra sitting above and below, defining some sort of "paddle wheel axis", perpendicular to the wheel plane. Around this axis there is an almost perfect circular structure formed by other six FeO6 octahedra, to which the "paddles", defined by the remaining six FeO6 groups attach. The ensemble presents some unusual (Fe···OPO)n loops (n = 2,3,4), some of them unreported, and displays a striking non-crystallographic -3 symmetry. The protonation state of the zoledronato ligands were inferred from the counterions effectively found and charge balance considerations. Both compounds present a paramagnetic behaviour at R.T, and obey a Curie Weiss law down to rather low temperatures (15 K for (I), 100(K) for (II)) with a tendency to different types of interactions viz., ferromagnetic for (I) and antiferromagnetic for (II). The geometry of the F15 cluster is analyzed. © 2012 Elsevier B.V. All rights reserved.
Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Quintero, Mariano Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Vega, Daniel Roberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
description The synthesis, X-ray structure and magnetic properties of two new zoledronato complexes are presented: Mn(II)(H3Zol)2(H 2O)2, (I) and Fe(III)15(HZol) 10(H2Zol)2 (H2O)24 (2/3Cl:1/3H2O)6·7Cl·65(H2O) (II), where H4Zol = zoledronic acid = C5H10N 2O7P2. Complex (I) is a dimer, built up around an inversion centre where the cation is located, surrounded by two chelating zoledronate anions and two water molecules. The structure is isomorphous to the Co, Ni and Zn isologues. A quite different structure is the Fe(III) complex which consists of a centrosymmetric cluster with 15 Fe(III) cations (one of them at the inversion centre), 12 zoledronate anions, in different protonation states and 26 coordinated water molecules, 24 of which show full occupancy and the remaining 2 share 6 coordination sites with 4 chlorine anions. There are in addition 7 chlorine counterions and a not well determined number of hydration water molecules, their number being adjusted as to match the chemical and TGA analysis. The general shape of the molecule is that of a 6 arm propeller with a Fe(III) cation at its center and two FeO6 coordination polyhedra sitting above and below, defining some sort of "paddle wheel axis", perpendicular to the wheel plane. Around this axis there is an almost perfect circular structure formed by other six FeO6 octahedra, to which the "paddles", defined by the remaining six FeO6 groups attach. The ensemble presents some unusual (Fe···OPO)n loops (n = 2,3,4), some of them unreported, and displays a striking non-crystallographic -3 symmetry. The protonation state of the zoledronato ligands were inferred from the counterions effectively found and charge balance considerations. Both compounds present a paramagnetic behaviour at R.T, and obey a Curie Weiss law down to rather low temperatures (15 K for (I), 100(K) for (II)) with a tendency to different types of interactions viz., ferromagnetic for (I) and antiferromagnetic for (II). The geometry of the F15 cluster is analyzed. © 2012 Elsevier B.V. All rights reserved.
publishDate 2013
dc.date.none.fl_str_mv 2013-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
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status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/77857
Freire Espeleta, Eleonora; Quintero, Mariano Horacio; Vega, Daniel Roberto; Baggio, Ricardo Fortunato; Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid); Elsevier Science Sa; Inorganica Chimica Acta; 394; 1-2013; 229-236
0020-1693
CONICET Digital
CONICET
url http://hdl.handle.net/11336/77857
identifier_str_mv Freire Espeleta, Eleonora; Quintero, Mariano Horacio; Vega, Daniel Roberto; Baggio, Ricardo Fortunato; Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid); Elsevier Science Sa; Inorganica Chimica Acta; 394; 1-2013; 229-236
0020-1693
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
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info:eu-repo/semantics/altIdentifier/doi/10.1016/j.ica.2012.06.045
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dc.publisher.none.fl_str_mv Elsevier Science Sa
publisher.none.fl_str_mv Elsevier Science Sa
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instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
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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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