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Вид документа : Статья из журнала
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Автор(ы) : Krylov A. S., Yushina, Irina, Slyusareva, Evgenia, Krylova S. N., Vtyurin A. N., Kaskel, Stefan, Senkovska, Irena
Заглавие : Structural phase transitions in flexible DUT-8(Ni) under high hydrostatic pressure
Коллективы : RFBR (Russian Foundation for Basic Research)Russian Foundation for Basic Research (RFBR) [21-52-12018]; DFG (Deutsche Forschungsgemeinschaft)German Research Foundation (DFG) [448809307]
Место публикации : Phys. Chem. Chem. Phys. - 2022. - Vol. 24, Is. 6. - P.3788-3798. - ISSN 1463-9076, DOI 10.1039/d1cp05021d. - ISSN 1463-9084(eISSN)
Примечания : Cited References: 57. - This work was financially supported by the RFBR (Russian Foundation for Basic Research, project number: 21-52-12018) and DFG (Deutsche Forschungsgemeinschaft, project number: 448809307). The Raman and high hydrostatic pressure experiments were performed in the Center for Common Use of the Krasnoyarsk Scientific Center SB RAS. The authors thank M. Maliuta for sample synthesis and characterisation
Предметные рубрики: METAL-ORGANIC FRAMEWORK
RAMAN-SPECTROSCOPY
PORE-SIZE
AMORPHIZATION
Аннотация: The behaviours of the open pore (op) and closed pore (cp) phases of the flexible Ni2(ndc)2(dabco) (ndc – 2,6-naphthalene dicarboxylate, dabco – 1,4-diazabicyclo[2.2.2]octane, DUT-8(Ni)) metal–organic framework under high hydrostatic pressures up to 10 GPa in isopropanol and silicone oil were studied by Raman spectroscopy. Ab initio simulations of vibrational spectra were performed for the open and closed pore phases, which allowed us to disclose the characteristic vibrational modes affected by the structural transitions under pressure. Analysis of theoretical and experimental Raman data suggests that the op–cp transition involves gateway vibrations at 25 and 67 cm−1, corresponding to trampoline/rotational motions of aromatic linkers. The experiments reveal the formation of new distorted cp phases at pressures higher than 2 GPa, which are formed without amorphisation. The transition between the cp phase and the distorted cp phase is reversible. The experiments also reveal the pivotal role of the pressure transmitting medium on the phase transition behaviour.
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