Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2017

Идентификатор DOI: 10.1039/c7cp06225g

Аннотация: Low-frequency lattice vibrational modes have been discussed to play a crucial role in the phase transformation process of flexible metal-organic frameworks (MOFs). Therefore, Raman spectroscopy was applied to study the lattice dynamics of a pillared layer DUT-8(Ni) framework (DUT-Dresden University of Technology), existing in rigid and flexible forms. Both the open and the close pore phases could be unambiguously identified by breathing mode bands at 23 cm-1 and 60 cm-1 in the corresponding Raman spectra, showing the efficiency of the technique for monitoring the flexibility of MOF materials as well as the differences in the lattice vibrations of the two phases. Born-Oppenheimer Molecular Dynamics simulations showed that observed low-frequency bands indeed correspond to the oscillation of the breathing mode along the diagonals of the pore channels. Moreover, the directional character of low-frequency vibrations in the flexible version of DUT-8(Ni) could be visualized by the orientation dependent Raman spectroscopy experiment. © 2017 the Owner Societies.

Журнал: Physical Chemistry Chemical Physics

Выпуск журнала: Vol. 19, Is. 47

Номера страниц: 32099-32104

ISSN журнала: 14639076

Издатель: Royal Society of Chemistry

• Krylov A. (Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation)
• Vtyurin A. (Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation, Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, Russian Federation)
• Petkov P. (University of Sofia, Faculty of Chemistry and Pharmacy, J. Bourchier blvd. 1, Sofia, Bulgaria, Universität Leipzig, Wilhelm-Ostwald-Institute of Physical and Theoretical Chemistry, Linnéstr. 2, Leipzig, Germany)
• Senkovska I. (Institute of Inorganic Chemistry, Technische Universität Dresden, Bergstrasse 66, Dresden, Germany)
• Maliuta M. (Institute of Inorganic Chemistry, Technische Universität Dresden, Bergstrasse 66, Dresden, Germany)
• Bon V. (Institute of Inorganic Chemistry, Technische Universität Dresden, Bergstrasse 66, Dresden, Germany)
• Heine T. (Universität Leipzig, Wilhelm-Ostwald-Institute of Physical and Theoretical Chemistry, Linnéstr. 2, Leipzig, Germany)
• Kaskel S. (Institute of Inorganic Chemistry, Technische Universität Dresden, Bergstrasse 66, Dresden, Germany)
• Slyusareva E. (Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, Russian Federation)

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