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

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dc.contributor.authorBinns, Jen_AU
dc.contributor.authorMcIntyre, GJen_AU
dc.contributor.authorBarreda-Argüeso, JAen_AU
dc.contributor.authorGonzález, Jen_AU
dc.contributor.authorAguado, Fen_AU
dc.contributor.authorRodríguez, Fen_AU
dc.contributor.authorValiente, Ren_AU
dc.contributor.authorParsons, Sen_AU
dc.date.accessioned2021-12-20T21:53:46Zen_AU
dc.date.available2021-12-20T21:53:46Zen_AU
dc.date.issued2017-01en_AU
dc.date.statistics2021-11-30en_AU
dc.description.abstractThe 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. © International Union of Crystallographyen_AU
dc.identifier.citationBinns, J., McIntyre, G. J., Barreda-Argüeso, J. A., González, J., Aguado, F., Rodríguez, F., Valiente, R., & Parsons, S. (2017). Phase transition sequences in tetra­methyl­ammonium tetra­chloro­metallates by x-ray diffraction and spectroscopic measurements. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, B73, 844-855. doi:10.1107/S2052520617006412en_AU
dc.identifier.issn2052-5206en_AU
dc.identifier.issue5en_AU
dc.identifier.journaltitleActa Crystallographica Section B: Structural Science, Crystal Engineering and Materialsen_AU
dc.identifier.pagination844-855en_AU
dc.identifier.urihttps://doi.org/10.1107/S2052520617006412en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/12589en_AU
dc.identifier.volume73en_AU
dc.language.isoenen_AU
dc.publisherInternational Union of Crystallographyen_AU
dc.subjectPhase transformationsen_AU
dc.subjectCrystal structureen_AU
dc.subjectIntermolecular forcesen_AU
dc.subjectSaltsen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectIron compoundsen_AU
dc.subjectGibberellic aciden_AU
dc.subjectChloridesen_AU
dc.titlePhase transition sequences in tetra­methyl­ammonium tetra­chloro­metallates by x-ray diffraction and spectroscopic measurementsen_AU
dc.typeJournal Articleen_AU
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