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Definition of the labile capping bond effect in lanthanide complexes
dc.contributor.author | Rodríguez-Rodríguez, Aurora | |
dc.contributor.author | Regueiro-Figueroa, Martín | |
dc.contributor.author | Esteban-Gómez, David | |
dc.contributor.author | Rodríguez-Blas, Teresa | |
dc.contributor.author | Patinec, Véronique | |
dc.contributor.author | Tripier, Raphaël | |
dc.contributor.author | Tircsó, Gyula | |
dc.contributor.author | Carniato, Fabio | |
dc.contributor.author | Botta, Mauro | |
dc.contributor.author | Platas-Iglesias, Carlos | |
dc.date.accessioned | 2017-03-31T11:50:34Z | |
dc.date.issued | 2017-01-23 | |
dc.identifier.citation | Rodríguez-Rodríguez, A., Regueiro-Figueroa, M., Esteban-Gómez, D., Rodríguez-Blas, T., Patinec, V., Tripier, R., Tircsó, G., Carniato, F., Botta, M., Platas-Iglesias, C. (2017), Definition of the Labile Capping Bond Effect in Lanthanide Complexes. Chem. Eur. J., 23: 1110-1117. https://doi.org/10.1002/chem.201604390 | es_ES |
dc.identifier.issn | 0947-6539 | |
dc.identifier.issn | 1521-3765 | |
dc.identifier.uri | http://hdl.handle.net/2183/18354 | |
dc.description.abstract | [Abstract] Two macrocyclic ligands containing a cyclen unit, a methyl group, a picolinate arm, and two acetate pendant arms attached to two nitrogen atoms of the macrocycle either in trans (1,7-H3Medo2 ampa = 2,2′-(7-((6-carboxypyridin-2-yl)methyl)-10-methyl-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetic acid) or in cis (1,4-H3Medo2 ampa) positions are reported. These ligands provide eight-coordination to the Ln3+ ions, leaving a coordination position available for a water molecule that occupies a capping position in the twisted square antiprismatic polyhedron (1,4-H3Medo2 ampa) or one of the positions of the square antiprism (1,7-H3Medo2 ampa). The charge neutral [Gd(1,7-Medo2 ampa)] complex presents an unprecedentedly low water-exchange rate (kex298=8.8×103 s−1), whereas water exchange in [Gd(1,4-Medo2 ampa)] is three orders of magnitude faster (kex298=6.6×106 s−1). These results showcase the labile capping bond phenomenon: A ligand occupying a capping position is hindered by the environment and thus is intrinsically labile. | es_ES |
dc.description.sponsorship | Ministerio de Economía y Competitividad; CTQ2009-10721/PPQ | es_ES |
dc.description.sponsorship | Ministerio de Economía y Competitividad; CTQ2013-43243-P | es_ES |
dc.description.sponsorship | Ministerio de Economía y Competitividad; CTQ2015-71211-REDT | es_ES |
dc.description.sponsorship | Xunta de Galicia; CN2012/011 | es_ES |
dc.description.sponsorship | European Commission; GINOP-2.3.2.-15-2016-00008 | es_ES |
dc.description.sponsorship | Hungría. Hungarian Scientific Research Fund; K-109029 | es_ES |
dc.description.sponsorship | Hungría. Hungarian Scientific Research Fund; K-120224 | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Wiley | es_ES |
dc.relation.uri | https://doi.org/10.1002/chem.201604390 | es_ES |
dc.rights | This is the peer reviewed version of the following article: Rodríguez-Rodríguez, A., Regueiro-Figueroa, M., Esteban-Gómez, D., Rodríguez-Blas, T., Patinec, V., Tripier, R., Tircsó, G., Carniato, F., Botta, M., Platas-Iglesias, C. (2017), Definition of the Labile Capping Bond Effect in Lanthanide Complexes. Chem. Eur. J., 23: 1110-1117, which has been published in final form at https://doi.org/10.1002/chem.201604390. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving. | es_ES |
dc.subject | Density functional calculations | es_ES |
dc.subject | Gadolinium | es_ES |
dc.subject | Magnetic resonance imaging | es_ES |
dc.subject | NMR spectroscopy | es_ES |
dc.subject | Water exchange | es_ES |
dc.title | Definition of the labile capping bond effect in lanthanide complexes | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.access | info:eu-repo/semantics/embargoedAccess | es_ES |
dc.date.embargoEndDate | 2018-01-24 | es_ES |
dc.date.embargoLift | 2018-01-24 | |
UDC.journalTitle | Chemistry - A European Journal | es_ES |
UDC.volume | 23 | es_ES |
UDC.issue | 5 | es_ES |
UDC.startPage | 1110 | es_ES |
UDC.endPage | 1117 | es_ES |
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