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
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/31359
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/31359
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling 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 Técnicas2025-11-05T09:58:31Zoai: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:34982025-11-05 09:58:31.835CONICET 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
_version_ 1847977395945996288
score 13.084122

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