Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline
- Autores
- Lazzarotto, Márcio; Ferreira, Creusa Iara; Castellano, Eduardo Ernesto; Veglia, Alicia Viviana
- Año de publicación
- 2014
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The structures of the complexes of choline and pentane-1,5-diammonium withp-t-bu-calix[6]arenedianion were determined. Both salts display the calixarene moiety at 1,2,3-alternate conformation, withtwo concave surfaces formed by three aromatic rings, and the phenolate units are at distal positions,interacting with two phenol units by hydrogen bonds.The salt of pentane-1,5-diammonium shows the diammonium connecting both calixarene dianionunits, and one NH3+is locatedendo-calix position and the other occupies anexo-calix position. Thet-butylgroups and the calix cavity constrains the pentane-1,5-diammonium chain to nearsyn-eclipsedandgaucheconformations. The other semi-calix accomodates a THF solvent molecule. The salt of cholineshows the trimethylammonium groups of choline units immersed in these concave surfaces, with severalinteractions N+–C–H—pinteractions with the aromatic semi-cavities
Fil: Lazzarotto, Márcio. Universidade Federal do Rio Grande do Sul; Brasil
Fil: Ferreira, Creusa Iara. Universidade Federal do Rio Grande do Sul; Brasil
Fil: Castellano, Eduardo Ernesto. Universidade de Sao Paulo; Brasil
Fil: Veglia, Alicia Viviana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina - Materia
-
Calixarene
Cadaverine
Choline
Ammonium Salts
X-Ray
Supramolecular Chemistry - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/31359
Ver los metadatos del registro completo
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Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and cholineLazzarotto, MárcioFerreira, Creusa IaraCastellano, Eduardo ErnestoVeglia, Alicia VivianaCalixareneCadaverineCholineAmmonium SaltsX-RaySupramolecular Chemistryhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The structures of the complexes of choline and pentane-1,5-diammonium withp-t-bu-calix[6]arenedianion were determined. Both salts display the calixarene moiety at 1,2,3-alternate conformation, withtwo concave surfaces formed by three aromatic rings, and the phenolate units are at distal positions,interacting with two phenol units by hydrogen bonds.The salt of pentane-1,5-diammonium shows the diammonium connecting both calixarene dianionunits, and one NH3+is locatedendo-calix position and the other occupies anexo-calix position. Thet-butylgroups and the calix cavity constrains the pentane-1,5-diammonium chain to nearsyn-eclipsedandgaucheconformations. The other semi-calix accomodates a THF solvent molecule. The salt of cholineshows the trimethylammonium groups of choline units immersed in these concave surfaces, with severalinteractions N+–C–H—pinteractions with the aromatic semi-cavitiesFil: Lazzarotto, Márcio. Universidade Federal do Rio Grande do Sul; BrasilFil: Ferreira, Creusa Iara. Universidade Federal do Rio Grande do Sul; BrasilFil: Castellano, Eduardo Ernesto. Universidade de Sao Paulo; BrasilFil: Veglia, Alicia Viviana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaElsevier Science2014-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31359Veglia, Alicia Viviana; Castellano, Eduardo Ernesto; Ferreira, Creusa Iara; Lazzarotto, Márcio; Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline; Elsevier Science; Journal of Molecular Structure; 1067; 3-2014; 88-930022-2860CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.molstruc.2014.03.004info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022286014002701info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:56:07Zoai:ri.conicet.gov.ar:11336/31359instacron: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 09:56:07.388CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline |
title |
Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline |
spellingShingle |
Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline Lazzarotto, Márcio Calixarene Cadaverine Choline Ammonium Salts X-Ray Supramolecular Chemistry |
title_short |
Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline |
title_full |
Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline |
title_fullStr |
Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline |
title_full_unstemmed |
Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline |
title_sort |
Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline |
dc.creator.none.fl_str_mv |
Lazzarotto, Márcio Ferreira, Creusa Iara Castellano, Eduardo Ernesto Veglia, Alicia Viviana |
author |
Lazzarotto, Márcio |
author_facet |
Lazzarotto, Márcio Ferreira, Creusa Iara Castellano, Eduardo Ernesto Veglia, Alicia Viviana |
author_role |
author |
author2 |
Ferreira, Creusa Iara Castellano, Eduardo Ernesto Veglia, Alicia Viviana |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
Calixarene Cadaverine Choline Ammonium Salts X-Ray Supramolecular Chemistry |
topic |
Calixarene Cadaverine Choline Ammonium Salts X-Ray Supramolecular Chemistry |
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 structures of the complexes of choline and pentane-1,5-diammonium withp-t-bu-calix[6]arenedianion were determined. Both salts display the calixarene moiety at 1,2,3-alternate conformation, withtwo concave surfaces formed by three aromatic rings, and the phenolate units are at distal positions,interacting with two phenol units by hydrogen bonds.The salt of pentane-1,5-diammonium shows the diammonium connecting both calixarene dianionunits, and one NH3+is locatedendo-calix position and the other occupies anexo-calix position. Thet-butylgroups and the calix cavity constrains the pentane-1,5-diammonium chain to nearsyn-eclipsedandgaucheconformations. The other semi-calix accomodates a THF solvent molecule. The salt of cholineshows the trimethylammonium groups of choline units immersed in these concave surfaces, with severalinteractions N+–C–H—pinteractions with the aromatic semi-cavities Fil: Lazzarotto, Márcio. Universidade Federal do Rio Grande do Sul; Brasil Fil: Ferreira, Creusa Iara. Universidade Federal do Rio Grande do Sul; Brasil Fil: Castellano, Eduardo Ernesto. Universidade de Sao Paulo; Brasil Fil: Veglia, Alicia Viviana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina |
description |
The structures of the complexes of choline and pentane-1,5-diammonium withp-t-bu-calix[6]arenedianion were determined. Both salts display the calixarene moiety at 1,2,3-alternate conformation, withtwo concave surfaces formed by three aromatic rings, and the phenolate units are at distal positions,interacting with two phenol units by hydrogen bonds.The salt of pentane-1,5-diammonium shows the diammonium connecting both calixarene dianionunits, and one NH3+is locatedendo-calix position and the other occupies anexo-calix position. Thet-butylgroups and the calix cavity constrains the pentane-1,5-diammonium chain to nearsyn-eclipsedandgaucheconformations. The other semi-calix accomodates a THF solvent molecule. The salt of cholineshows the trimethylammonium groups of choline units immersed in these concave surfaces, with severalinteractions N+–C–H—pinteractions with the aromatic semi-cavities |
publishDate |
2014 |
dc.date.none.fl_str_mv |
2014-03 |
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/11336/31359 Veglia, Alicia Viviana; Castellano, Eduardo Ernesto; Ferreira, Creusa Iara; Lazzarotto, Márcio; Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline; Elsevier Science; Journal of Molecular Structure; 1067; 3-2014; 88-93 0022-2860 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/31359 |
identifier_str_mv |
Veglia, Alicia Viviana; Castellano, Eduardo Ernesto; Ferreira, Creusa Iara; Lazzarotto, Márcio; Highly constrained guests in complexes ofp-tert-butylcalix[6]arenedianion: Pentane-1,5-diammonium and choline; Elsevier Science; Journal of Molecular Structure; 1067; 3-2014; 88-93 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/doi/10.1016/j.molstruc.2014.03.004 info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022286014002701 |
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 |
Elsevier Science |
publisher.none.fl_str_mv |
Elsevier Science |
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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1844613687459971072 |
score |
13.070432 |