Show simple item record

dc.contributor.author Forgan, Ross S.
dc.contributor.author Marshall, Ross J.
dc.contributor.author Struckmann, Mona
dc.contributor.author Bleine, Aurore B.
dc.contributor.author Long, De Liang
dc.contributor.author Bernini, Maria Celeste
dc.contributor.author Fairen Jimenez, D.
dc.date.available 2016-05-27T19:29:26Z
dc.date.issued 2014-10
dc.identifier.citation Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De Liang; et al.; Structure-directing factors when introducing hydrogen bond functionality to metal?organic frameworks; Royal Society of Chemistry; Crystengcomm; 2015; 17; 10-2014; 299-306
dc.identifier.issn 1466-8033
dc.identifier.uri http://hdl.handle.net/11336/5888
dc.description.abstract The introduction of H-bond donor/acceptor functionality into metal-organic frameworks (MOFs) can have a beneficial effect on their molecular recognition, uptake selectivity and catalytic properties. The changes in ligand geometry induced by incorporation of functional groups may also affect the topology and composition of the resultant MOFs. Herein, we present a comprehensive study of functional group incorporation into MOFs, linked by either Zn2+ paddlewheel units or monomeric Zn2+ corners, which exhibit pcu and dia topology, respectively. Crystallographic analysis shows that amide groups can be easily incorporated into isoreticular pcu pillared-MOFs, whilst integration of urea units results in materials with dia topology. Molecular simulations allow the examination of hypothetical structures with differing constitutions and topologies, and highlight the influence of the urea units in generating the experimentally observed topologies. Noncovalent interactions between independent nets may be significant structure-directing influences, a finding which has great implications for the design of MOFs containing more complex functional groups
dc.format application/pdf
dc.language.iso eng
dc.publisher Royal Society of Chemistry
dc.rights info:eu-repo/semantics/openAccess
dc.rights.uri https://creativecommons.org/licenses/by/2.5/ar/
dc.subject MOFs
dc.subject HYDROGEN BONDS
dc.subject TOPOLOGY
dc.subject MOLECULAR SIMULATIONS
dc.subject.classification Química Inorgánica y Nuclear
dc.subject.classification Ciencias Químicas
dc.subject.classification CIENCIAS NATURALES Y EXACTAS
dc.title Structure-directing factors when introducing hydrogen bond functionality to metal?organic frameworks
dc.type info:eu-repo/semantics/article
dc.type info:ar-repo/semantics/artículo
dc.type info:eu-repo/semantics/publishedVersion
dc.date.updated 2016-05-16T20:06:06Z
dc.journal.volume 2015
dc.journal.number 17
dc.journal.pagination 299-306
dc.journal.pais Reino Unido
dc.journal.ciudad Cambridge
dc.description.fil Fil: Forgan, Ross S.. University Of Glasgow; Reino Unido
dc.description.fil Fil: Marshall, Ross J.. University Of Glasgow; Reino Unido
dc.description.fil Fil: Struckmann, Mona. University Of Glasgow; Reino Unido
dc.description.fil Fil: Bleine, Aurore B.. University Of Glasgow; Reino Unido
dc.description.fil Fil: Long, De Liang. University Of Glasgow; Reino Unido
dc.description.fil Fil: Bernini, Maria Celeste. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Investigaciones en Tecnología Química; Argentina
dc.description.fil Fil: Fairen Jimenez, D.. University of Cambridge; Reino Unido
dc.journal.title Crystengcomm
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2015/CE/c4ce01379d
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlehtml/2015/ce/c4ce01379d
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/C4CE01379D
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/doi/10.1039/C4CE01379D


Archivos asociados

This item appears in the following Collection(s)

Show simple item record

info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution 2.5 Unported (CC BY 2.5)