Mostrar el registro sencillo del ítem
dc.contributor.author
Thomas, Joice
dc.contributor.author
Dobrzanska, Liliana
dc.contributor.author
Van Meervelt, Luc
dc.contributor.author
Quevedo, Mario Alfredo
dc.contributor.author
Wozniak, Krzysztof
dc.contributor.author
Stachowicz, Marcin
dc.contributor.author
Smet, Mario
dc.contributor.author
Maes, Wouter
dc.contributor.author
Dehaen, Wim
dc.date.available
2018-10-23T20:14:56Z
dc.date.issued
2016-01
dc.identifier.citation
Thomas, Joice; Dobrzanska, Liliana; Van Meervelt, Luc; Quevedo, Mario Alfredo; Wozniak, Krzysztof; et al.; Homodiselenacalix[4]arenes: Molecules with Unique Channelled Crystal Structures; Wiley VCH Verlag; Chemistry- A European Journal; 22; 3; 1-2016; 979-987
dc.identifier.issn
0947-6539
dc.identifier.uri
http://hdl.handle.net/11336/62961
dc.description.abstract
A synthetic route towards homodiselenacalix[4]arene macrocycles is presented, based on the dynamic covalent chemistry of diselenides. The calixarene inner rim is decorated with either alkoxy or tert-butyl ester groups. Single-crystal X-ray analysis of two THF solvates with methoxy and ethoxy substituents reveals the high similarity of their molecular structures and alterations on the supramolecular level. In both crystal structures, solvent channels are present and differ in both shape and capacity. Furthermore, the methoxy-substituted macrocycle undergoes a single-crystal-to-single-crystal transformation during which the molecular structure changes its conformation from 1,3-alternate (loaded with THF/water) to 1,2-alternate (apohost form). Molecular modelling techniques were applied to explore the conformational and energetic behaviour of the macrocycles.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Wiley VCH Verlag
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Calixarenes
dc.subject
Covalent Chemistry
dc.subject
Crystal Engineering
dc.subject
Molecular Dynamics
dc.subject
Selenium
dc.subject.classification
Otras Ciencias Químicas
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Homodiselenacalix[4]arenes: Molecules with Unique Channelled Crystal Structures
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-10-23T13:42:44Z
dc.journal.volume
22
dc.journal.number
3
dc.journal.pagination
979-987
dc.journal.pais
Alemania
dc.journal.ciudad
Weinheim
dc.description.fil
Fil: Thomas, Joice. Katholikie Universiteit Leuven; Bélgica
dc.description.fil
Fil: Dobrzanska, Liliana. Katholikie Universiteit Leuven; Bélgica
dc.description.fil
Fil: Van Meervelt, Luc. Katholikie Universiteit Leuven; Bélgica
dc.description.fil
Fil: Quevedo, Mario Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Unidad de Investigación y Desarrollo en Tecnología Farmacéutica; Argentina
dc.description.fil
Fil: Wozniak, Krzysztof. Warsaw University; Polonia
dc.description.fil
Fil: Stachowicz, Marcin. Warsaw University; Polonia
dc.description.fil
Fil: Smet, Mario. Katholikie Universiteit Leuven; Bélgica
dc.description.fil
Fil: Maes, Wouter. Katholikie Universiteit Leuven; Bélgica. Hasselt University; Bélgica
dc.description.fil
Fil: Dehaen, Wim. Katholikie Universiteit Leuven; Bélgica
dc.journal.title
Chemistry- A European Journal
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/chem.201503385
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201503385
Archivos asociados