resumo
New compounds [(CH3)(3)PH][SbBr4] and [(CH3)(3)PH][SbCl4] adopting a discrete (0D) and one-dimensional (1D) structure, respectively, were synthesized. Differential scanning calorimetry and thermogravimetric measurements showed that both salts undergo a single phase transition at 373 K/416 K (chlorine/bromine analog) followed by partial decomposition. Both crystals were structurally characterized at room temperature. H-1 NMR measurements were used to study the dynamics of the [(CH3)(3)PH](+) cation in the solid phase, which helped to understand the thermal instability of the crystals. In addition, DFT (Density Functional Theory) calculations gave insight into the relative stability of the possible phases of the studied crystals. The mechanism of crystal decomposition is discussed in this work.
palavras-chave
EMPIRICAL DISPERSION TERM; HYDROGEN-BOND; X-RAY; FERROELECTRIC PROPERTIES; VIBRATIONAL-SPECTRA; MOLECULAR-MOTION; SOLID-STATE; C-H; TEMPERATURE; TRANSITION
categoria
Chemistry; Crystallography
autores
Wojtas, M; Bil, A; Gagor, A; Medycki, W; Kholkin, AL
nossos autores
Andrei Kholkin
Investigador Principalagradecimentos
M. W. and A. B. thank Professor Ryszard Jakubas for the helpful discussion. This work was developed within the scope of the project CICECO-Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (FCT Ref. UID/CTM/50011/2013), financed by national funds through the FCT/MEC and when appropriate co-financed by FEDER under the PT2020 Partnership Agreement.