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- Title
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
- Authors
Binns, Jack; Mcintyre, Garry J; Barreda-Argüeso, José A.; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
- 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 Fe3+. First-principles calculations and the presence of short Cl...Cl contacts for Ga3+ suggest the [GaCl4]− anion to be conformationally hindered due to stronger lone-pair-σ-hole interactions. The conformationally more flexible Fe3+ structures show sublattice melting with the onset of rotational disorder in the [NMe4]+ cations occurring 40 K below the corresponding onset of rotational disorder in the [FeCl4]− sublattice.
- Subjects
PHASE transitions; X-ray diffraction
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2017, Vol 73, Issue 5, p844
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520617006412