Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/89576
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Campo DC | Valor | Lengua/Idioma |
---|---|---|
dc.contributor.author | Bowron, Daniel T. | - |
dc.contributor.author | Amboage, Mónica | - |
dc.contributor.author | Boada, R. | - |
dc.contributor.author | Freeman, Adam | - |
dc.contributor.author | Hayama, Shu | - |
dc.contributor.author | Díaz-Moreno, Sofía | - |
dc.date.accessioned | 2014-01-17T09:19:15Z | - |
dc.date.available | 2014-01-17T09:19:15Z | - |
dc.date.issued | 2013 | - |
dc.identifier | doi: 10.1039/C3RA42400F | - |
dc.identifier | e-issn: 2046-2069 | - |
dc.identifier.citation | RSC Advances 3(39): 17803-17812 (2013) | - |
dc.identifier.uri | http://hdl.handle.net/10261/89576 | - |
dc.description | This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. | - |
dc.description.abstract | A comprehensive multi-technique approach has been used to address the controversial question of the preferred geometric form of the Cu2+ aqua-ion hydration shell. A combination of H/D isotopic substitution neutron scattering and X-ray scattering has been used to refine atomistic models of 0.5 m and 2.0 m solutions of Cu(ClO4)2, that have also been constrained to simultaneously reproduce detailed local structure information about the cation environment obtained by X-ray Absorption spectroscopy. The adoption of the Empirical Potential Structure Refinement (EPSR) technique as a single unified analytical framework minimises the chances for biasing the result in favour of a specific pre-conceived outcome. The results are consistent with an average coordination for each Cu2+ ion of 4.5 ± 0.6 water molecules that matches the more recent picture of five-fold coordination in a 2.0 m solution, but interestingly this combined study highlights that the preferred local geometry of the ion sites is found to have a mixed character of tetrahedral, trigonal bipyramidal and octahedral components. A further point to note is that this new model adds support to a largely ignored result in the literature relating to the linear electric field effect induced g-shifts observed in the electron paramagnetic resonance spectra of glassy Cu 2+ complexes (Peisach and Mims, Chem. Phys. Lett., 1976, 37, 307-310) that first highlighted the importance of tetrahedral distortions in the cation's hydration shell structure. This journal is © The Royal Society of Chemistry. | - |
dc.description.sponsorship | RB acknowledges support from the Ministerio de Economía y Competitividad of Spain. | - |
dc.description.sponsorship | We would like to thank Red de Bibliotecas del CSIC for their support to publish this work in open format. | - |
dc.language.iso | eng | - |
dc.publisher | Royal Society of Chemistry (UK) | - |
dc.relation.isversionof | Publisher's version | - |
dc.rights | openAccess | - |
dc.title | The hydration structure of Cu2+: more tetrahedral than octahedral? | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1039/C3RA42400F | - |
dc.relation.publisherversion | http://dx.doi.org/10.1039/C3RA42400F | - |
dc.date.updated | 2014-01-17T09:19:15Z | - |
dc.description.version | Peer Reviewed | - |
dc.rights.license | http://creativecommons.org/licenses/by/3.0/ | - |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | - |
dc.contributor.funder | CSIC - Unidad de Recursos de Información Científica para la Investigación (URICI) | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
item.cerifentitytype | Publications | - |
item.openairetype | artículo | - |
item.languageiso639-1 | en | - |
item.grantfulltext | open | - |
Aparece en las colecciones: | (ICMA) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
The hydration structure.pdf | 867,88 kB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
WEB OF SCIENCETM
Citations
31
checked on 22-feb-2024
Page view(s)
383
checked on 18-abr-2024
Download(s)
240
checked on 18-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
Este item está licenciado bajo una Licencia Creative Commons