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Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements


Abstract: The phase transition sequences of two members of the tetramethylammonium tetrachlorometallate(III) family of hybrid organic-inorganic salts have been determined and structurally characterized as a function of temperature for the first time. Unusually, a reduction in point-group symmetry with increasing temperature until reaching a cubic prototype phase is observed. Two additional intermediate phases are observed for Fe 3+. First-principles calculations and the presence of short Cl?Cl contacts for Ga 3+ suggest the [GaCl 4]-anion to be conformationally hindered due to stronger lone-pair-?-hole interactions. The conformationally more flexible Fe 3+ structures show sublattice melting with the onset of rotational disorder in the [NMe 4] + cations occurring 40 K below the corresponding onset of rotational disorder in the [FeCl 4]-sublattice.



Otras publicaciones de la misma revista o congreso con autores/as de la Universidad de Cantabria

 Fuente: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials Vol. 73, Part 5, Pp 844-855 (2017)

Editorial: Wiley-Blackwell

 Fecha de publicación: 01/10/2017

Nº de páginas: 12

Tipo de publicación: Artículo de Revista

DOI: 10.1107/S2052520617006412

ISSN: 2052-5192,2052-5206

Proyecto español: MAT2015-69508-P

Url de la publicación: https://doi.org/10.1107/S2052520617006412

Autores/as

BINNS, JACK

MCINTYRE, GARRY JAMES

JOSE ANTONIO BARREDA ARGÜESO

PARSONS, SIMON A.