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Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
- Source :
-
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials . Oct2017, Vol. 73 Issue 5, p844-855. 11p. - Publication Year :
- 2017
-
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. [ABSTRACT FROM AUTHOR]
- Subjects :
- *PHASE transitions
*X-ray diffraction
Subjects
Details
- Language :
- English
- ISSN :
- 20525192
- Volume :
- 73
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials
- Publication Type :
- Academic Journal
- Accession number :
- 125492280
- Full Text :
- https://doi.org/10.1107/S2052520617006412