A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π cont...
- Autores
- Granifo, Juan; Gaviño, Ruben; Freire Espeleta, Eleonora; Baggio, Ricardo Fortunato
- Año de publicación
- 2014
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n (2). The structure of 1 consists of a Zn(II) cation sitting on an inversion centre, surrounded by a slightly elongated octahedral environment, defined by two trans N(4-pyridyl) atoms from a pair of mondentate L1 ligands, and four O atoms from two chelating acac anions. The polymeric structure of 2 presents a similar though non-symmetric Zn(acac)2 unit, since the two coordinated N atoms come from two different donor moieties of L1: the 4-pyridyl and the pyrimidinyl. Both compounds present weak C–H⋯N contacts generating 2D aromatic structures, complemented by π⋯π contacts plane-stacking giving raise to 3D structures and further stabilized by C–H⋯O and C–H⋯π interactions.
Fil: Granifo, Juan. Universidad de La Frontera. Facultad de Ingeniería y Ciencias. Departamento de Ciencias Químicas y Recursos Naturales; Chile
Fil: Gaviño, Ruben. Universidad Nacional Autónoma de México; México
Fil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina
Fil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina - Materia
-
Acetilacetonato
Zn(Ii) Complexes
Crystal Structures - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/32675
Ver los metadatos del registro completo
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A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bondsGranifo, JuanGaviño, RubenFreire Espeleta, EleonoraBaggio, Ricardo FortunatoAcetilacetonatoZn(Ii) ComplexesCrystal Structureshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n (2). The structure of 1 consists of a Zn(II) cation sitting on an inversion centre, surrounded by a slightly elongated octahedral environment, defined by two trans N(4-pyridyl) atoms from a pair of mondentate L1 ligands, and four O atoms from two chelating acac anions. The polymeric structure of 2 presents a similar though non-symmetric Zn(acac)2 unit, since the two coordinated N atoms come from two different donor moieties of L1: the 4-pyridyl and the pyrimidinyl. Both compounds present weak C–H⋯N contacts generating 2D aromatic structures, complemented by π⋯π contacts plane-stacking giving raise to 3D structures and further stabilized by C–H⋯O and C–H⋯π interactions.Fil: Granifo, Juan. Universidad de La Frontera. Facultad de Ingeniería y Ciencias. Departamento de Ciencias Químicas y Recursos Naturales; ChileFil: Gaviño, Ruben. Universidad Nacional Autónoma de México; MéxicoFil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; ArgentinaFil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; ArgentinaElsevier Science2014-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/32675Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Gaviño, Ruben; Granifo, Juan; A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds; Elsevier Science; Journal of Molecular Structure; 1063; 1-2014; 102-1080022-2860CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022286014001148info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molstruc.2014.01.053info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:05:06Zoai:ri.conicet.gov.ar:11336/32675instacron: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:34982025-10-22 11:05:07.087CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds |
| title |
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds |
| spellingShingle |
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds Granifo, Juan Acetilacetonato Zn(Ii) Complexes Crystal Structures |
| title_short |
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds |
| title_full |
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds |
| title_fullStr |
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds |
| title_full_unstemmed |
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds |
| title_sort |
A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds |
| dc.creator.none.fl_str_mv |
Granifo, Juan Gaviño, Ruben Freire Espeleta, Eleonora Baggio, Ricardo Fortunato |
| author |
Granifo, Juan |
| author_facet |
Granifo, Juan Gaviño, Ruben Freire Espeleta, Eleonora Baggio, Ricardo Fortunato |
| author_role |
author |
| author2 |
Gaviño, Ruben Freire Espeleta, Eleonora Baggio, Ricardo Fortunato |
| author2_role |
author author author |
| dc.subject.none.fl_str_mv |
Acetilacetonato Zn(Ii) Complexes Crystal Structures |
| topic |
Acetilacetonato Zn(Ii) Complexes Crystal Structures |
| 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 novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n (2). The structure of 1 consists of a Zn(II) cation sitting on an inversion centre, surrounded by a slightly elongated octahedral environment, defined by two trans N(4-pyridyl) atoms from a pair of mondentate L1 ligands, and four O atoms from two chelating acac anions. The polymeric structure of 2 presents a similar though non-symmetric Zn(acac)2 unit, since the two coordinated N atoms come from two different donor moieties of L1: the 4-pyridyl and the pyrimidinyl. Both compounds present weak C–H⋯N contacts generating 2D aromatic structures, complemented by π⋯π contacts plane-stacking giving raise to 3D structures and further stabilized by C–H⋯O and C–H⋯π interactions. Fil: Granifo, Juan. Universidad de La Frontera. Facultad de Ingeniería y Ciencias. Departamento de Ciencias Químicas y Recursos Naturales; Chile Fil: Gaviño, Ruben. Universidad Nacional Autónoma de México; México Fil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina Fil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina |
| description |
The novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n (2). The structure of 1 consists of a Zn(II) cation sitting on an inversion centre, surrounded by a slightly elongated octahedral environment, defined by two trans N(4-pyridyl) atoms from a pair of mondentate L1 ligands, and four O atoms from two chelating acac anions. The polymeric structure of 2 presents a similar though non-symmetric Zn(acac)2 unit, since the two coordinated N atoms come from two different donor moieties of L1: the 4-pyridyl and the pyrimidinyl. Both compounds present weak C–H⋯N contacts generating 2D aromatic structures, complemented by π⋯π contacts plane-stacking giving raise to 3D structures and further stabilized by C–H⋯O and C–H⋯π interactions. |
| publishDate |
2014 |
| dc.date.none.fl_str_mv |
2014-01 |
| 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 |
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article |
| status_str |
publishedVersion |
| dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/32675 Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Gaviño, Ruben; Granifo, Juan; A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds; Elsevier Science; Journal of Molecular Structure; 1063; 1-2014; 102-108 0022-2860 CONICET Digital CONICET |
| url |
http://hdl.handle.net/11336/32675 |
| identifier_str_mv |
Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Gaviño, Ruben; Granifo, Juan; A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds; Elsevier Science; Journal of Molecular Structure; 1063; 1-2014; 102-108 0022-2860 CONICET Digital CONICET |
| dc.language.none.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022286014001148 info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molstruc.2014.01.053 |
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info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-nd/2.5/ar/ |
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openAccess |
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https://creativecommons.org/licenses/by-nc-nd/2.5/ar/ |
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application/pdf application/pdf application/pdf |
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Elsevier Science |
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Elsevier Science |
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CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
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dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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12.982451 |