Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure

Тип публікації :
Стаття
Дата випуску :
2024
Автор(и) :
Eduard B. Rusanov
Michael D. Wörle
Maksym V. Kovalenko
Julia A. Rusanova
Мова основного тексту :
Англійська
eKNUTSHIR URL :
DOI :
Том :
80
Випуск :
2
ISSN :
2052-5206
Початкова сторінка :
135
Кінцева сторінка :
145
Цитування :
[APA 7] Eduard, B. R., Michael, D. W., Maksym, V. K., Домасевич, К. В., & Julia, A. R. (2024). Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 80(2), 135–145. https://doi.org/10.1107/S2052520624001586
[ДСТУ] Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl<sub>6</sub>] under high pressure / B. R. Eduard et al. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 2024. Vol. 80, no. 2. P. 135—145. DOI: 10.1107/S2052520624001586 (date of access: 25.07.2026).
The compression behavior of [Rb(18-crown-6)][SbCl6] crystal under pressure up to 2.16 (3) GPa was investigated in a diamond anvil cell (DAC) using a mixture of pentane–iso­pentane (1:4) as the pressure-transmitting fluid. The compound crystallizes in trigonal space group R3 and no phase transition was observed in the indicated pressure range. The low value of pressure bulk modulus [9.1 (5) GPa] found in this crystal is a characteristic of soft materials with predominant dispersive and electrostatic interaction forces. The nonlinear relationship between unit-cell parameters under high pressure is attributed to the influence of reduced intermolecular H⋯Cl contacts under pressure over 0.73 GPa. It also explains the high compression efficiency of [Rb(18-crown-6)][SbCl6] crystals at relatively low pressures, resulting in a significant shift of the Rb atom to the center of the crown ether cavity. At pressures above 0.9 GPa, steric repulsion forces begin to play a remarkable role, since an increasing number of interatomic H⋯Cl and H⋯H contacts become shorter than the sum of their van der Waals (vdW) radii. Below 0.9 GPa, both unit-cell parameter dependences (P–a and P–c) exhibit hysteresis upon pressure release, demonstrating their influence on the disordered model of Rb atoms. The void reduction under pressure also demonstrates two linear sections with the inflection point at 0.9 GPa. Compression of the crystal is accompanied by a significant decrease in the volume of the voids, leading to the rapid approach of Rb atoms to the center of the crown ether cavity. For the Rb atom to penetrate into the center of the crown ether cavity in [Rb(18-crown-6)][SbCl6], it is necessary to apply a pressure of about 2.5 GPa to disrupt the balance of atomic forces in the crystal. This sample serves as a compression model demonstrating the influence of both attractive and repulsive forces on the change in unit-cell parameters under pressure.
Ключові слова :
X-ray diffraction high pressure crown ether attractive and repulsive forces alkali metal complexes
Галузі знань та спеціальності :
10 Природничі науки::102 Хімія
Галузі науки і техніки (FOS) :
Хімічні науки
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