Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2022

Идентификатор DOI: 10.1039/d1cp05021d

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. This journal is © the Owner Societies.

Журнал: Physical Chemistry Chemical Physics

Выпуск журнала: Vol. 24, Is. 6

Номера страниц: 3788-3798

ISSN журнала: 14639076

Издатель: Royal Society of Chemistry

• Krylov A. (Kirensky Institute of Physics, Federal Research Center KSC, SB RAS, Krasnoyarsk, 660036, Russian Federation)
• Yushina I. (South Ural State University, SEC Nahenotechnology, 454080 Lenin Avenue, Chelyabinsk, 76, Russian Federation)
• Slyusareva E. (Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation)
• Krylova S. (Kirensky Institute of Physics, Federal Research Center KSC, SB RAS, Krasnoyarsk, 660036, Russian Federation)
• Vtyurin A. (Kirensky Institute of Physics, Federal Research Center KSC, SB RAS, Krasnoyarsk, 660036, Russian Federation, Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation)
• Kaskel S. (Department of Inorganic Chemistry, Technische Universität Dresden, Bergstrasse 66, Dresden, 01062, Germany)
• Senkovska I. (Department of Inorganic Chemistry, Technische Universität Dresden, Bergstrasse 66, Dresden, 01062, Germany)

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