Three Lanthanum MOF polymorphs : insights into kinetically and thermodynamically controlled phases
Articolo
Data di Pubblicazione:
2009
Citazione:
Three Lanthanum MOF polymorphs : insights into kinetically and thermodynamically controlled phases / F. Gàndara, V. A. de la Pena-O’Shea, F. Illas, N. Snejko, D. M. Proserpio, E. Gutiérrez-Puebla, M. A. Monge. - In: INORGANIC CHEMISTRY. - ISSN 0020-1669. - 48:11(2009), pp. 4707-4713.
Abstract:
RPF-4 is a family of polymeric frameworks prepared with rare-earth elements and the versatile ligand 4,40-(hexafluoroisopropylidene)
bis(benzoic acid). We have found that during the synthesis procedure up to three different
polymorphs can be obtained. Their crystal structures are here presented. The three networks have unusual topologies,
the three being uninodal penta-coordinated, two of them unknown up to now, and the other named hxg-d-5-Imma.
They are here described and compared. DFT calculations of the relative energies for the three polymorphs show
that the most often obtained structure is a metastable phase, which appears to be, next to others, thermodynamically
more stable.
Tipologia IRIS:
01 - Articolo su periodico
Elenco autori:
F. Gàndara, V. A. de la Pena-O’Shea, F. Illas, N. Snejko, D. M. Proserpio, E. Gutiérrez-Puebla, M. A. Monge
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