Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/173160
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 | Infantes, L. | - |
dc.contributor.author | Moreno, José M. | - |
dc.contributor.author | Claramunt, Rosa M. | - |
dc.contributor.author | Sanz, Dionisia | - |
dc.contributor.author | Alkorta, Ibon | - |
dc.contributor.author | Elguero, José | - |
dc.date.accessioned | 2018-12-13T11:02:14Z | - |
dc.date.available | 2018-12-13T11:02:14Z | - |
dc.date.issued | 2018 | - |
dc.identifier | doi: 10.1016/j.ica.2018.08.009 | - |
dc.identifier | issn: 0020-1693 | - |
dc.identifier.citation | Inorganica Chimica Acta 483: 402-410 (2018) | - |
dc.identifier.uri | http://hdl.handle.net/10261/173160 | - |
dc.description.abstract | The crystal and molecular structures of four thallium tris(1H-pyrazol-1-yl)hydroborates have been determined by X-ray analysis and compared with those recorded in the literature. The geometry of the pyrazole ring, steric effects of the substituents at position 3, packing and other characteristics of the crystals are discussed. Density Functional Theory-Gauge Invariant Atomic Orbital (DFT-GIAO) calculations have been carried out to determine the chemical shifts of the four compounds; they have been compared with experimental values finding an agreement excellent. | - |
dc.description.sponsorship | This work has been financed by Ministerio de Economía y Competitividad of Spain (CTQ2015-63997-C2-2-P and CTQ2014- 56833-R) and Comunidad Autónoma de Madrid (Project Fotocarbon, S2013/MIT-2841 and BIPEDD-2: S2010-BMD-2457). | - |
dc.publisher | Elsevier | - |
dc.relation | info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015-63997-C2-2-P | - |
dc.relation | info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2014-56833-R | - |
dc.rights | closedAccess | - |
dc.subject | Pyrazolylborates | - |
dc.subject | NMR | - |
dc.subject | GIAO calculations | - |
dc.subject | Crystallography | - |
dc.subject | Scorpionates | - |
dc.title | The structure of four thallium tris(1H-pyrazol-1-yl)hydroborates in the solid state by X-ray crystallography and in solution by NMR and DFT-GIAO calculations | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1016/j.ica.2018.08.009 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1016/j.ica.2018.08.009 | - |
dc.date.updated | 2018-12-13T11:02:14Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.contributor.funder | Ministerio de Economía, Industria y Competitividad (España) | - |
dc.contributor.funder | Comunidad de Madrid | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/100012818 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100010198 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.grantfulltext | none | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | No Fulltext | - |
Aparece en las colecciones: | (IQM) Artículos (IQF) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
accesoRestringido.pdf | 15,38 kB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
SCOPUSTM
Citations
6
checked on 22-abr-2024
WEB OF SCIENCETM
Citations
4
checked on 25-feb-2024
Page view(s)
243
checked on 22-abr-2024
Download(s)
111
checked on 22-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.