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High-pressure transformation of dithiazolylidene-dithiazolium polyiodide with N-H…N hydrogen bond: A Raman spectroscopy study / I. D. Yushina, A. S. Krylov, O. I. Bol'shakov [et al.] // Spectrochim. Acta A. - 2022. - Vol. 268. - Ст. 120635, DOI 10.1016/j.saa.2021.120635. - Cited References: 24. - This work was supported by the Ministry of Science and High Education of Russian Federation, project FENU-2020-0019 . - ISSN 1386-1425
Кл.слова (ненормированные):
Polyiodides -- High pressure -- Hydrogen bond -- 1,2,3-dithiazoles
Аннотация: The insight into the behavior of polyiodides under non-ambient conditions can enrich the practical applications due to obtaining materials with adjustable and tunable conducting properties. In this work Raman spectroscopy study in the range 0 – 6.5 GPa has been performed for dithiazolylidene-dithiazolium zigzag polyiodide with N-H…N hydrogen bond. Variations of band positions in the low-wavenumber region of Raman spectra have been attributed to the changes in the anionic part of the unit cell. The association of different interacting polyiodide subunits at pressure above 1.5 GPa leads to the emergence of the bands at 98 and 115 cm−1 due to consistent vibrations in the I82- zigzag. The emergence of the band at 159 cm−1 above 0.28 GPa can be assigned to N-H…N hydrogen bond vibration. The obtained results depict undergoing structure transformations: the stronger are cation…cation and anion…anion interactions the more likely is the observation of conducting properties due to the formation of polyiodide zigzag and strongly-bound hydrogen-bonded fragment.

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Держатели документа:
South Ural State University, Chemical Faculty. 454080, Lenin avenue, 76, Chelyabinsk, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, 119991, Russian Federation

Доп.точки доступа:
Yushina, I. D.; Krylov, A. S.; Крылов, Александр Сергеевич; Bol'shakov, O. I.; Rakitin, O. A.; Bartashevich, E. V.
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    Raman spectroscopy study of the switchable phases of metal-organic frameworks DUT-8 / A. S. Krylov, I. Senkovska, S. Kaskel [и др.] // 4th European conference on metal organic frameworks and porous polymers : Programme and book of abstracts. - 2021. - Ст. P-84 (S4P06). - Cited References: 3. - Study was funded by RFBR and DFG, project number 21-52-120018 . - ISBN 978-83-951195-7-6
   Перевод заглавия: Рамановая спектроскопия переключаемых фаз металлоорганических каркасов DUT-8

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Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Senkovska, I.; Kaskel, S.; Slysareva, E. A.; Krylova, S. N.; Крылова, Светлана Николаевна; Yushina, I. D.; Vtyurin, A. N.; Втюрин, Александр Николаевич; European conference on metal organic frameworks and porous polymers(4 ; 2021 ; Sept. 13-15 ; Kraków, Poland (virtual))
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Low-frequency vibrational spectroscopy of DUT-8 (Me) in the open and closed pore phases / S. N. Krylova, V. A. Zykova, I. Senkovska [et al.] // International Conference on Metal-Organic Frameworks and Open Frameworks Compounds (MOF 2022) : book of abstracts. - 2022. - P. 947

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk 660036, Russia
Institute of Automation and Electrometry of the SB RAS, Novosibirsk/Russia
Institute of Inorganic Chemistry, Dresden University of Technology, Germany
South Ural State University, SEC Nahenotechnology, Chelyabinsk/Russia

Доп.точки доступа:
Krylova, S. N.; Крылова, Светлана Николаевна; Zykova, V. A.; Senkovska, I.; Yushina, I. D.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Krylov, A. S.; Крылов, Александр Сергеевич; International Conference on Metal-Organic Frameworks and Open Frameworks Compounds(8 ; 2022 ; Sept. 4-7 ; Dresden)
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Raman spectroscopy study of the structural phase transitions in flexible DUT-8(Ni) under high hydrostatic pressure / A. S. Krylov, I. D. Yushina, E. A. Slyusareva [et al.] // International Conference on Metal-Organic Frameworks and Open Frameworks Compounds (MOF 2022) : book of abstracts. - 2022. - P. 950-951

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk 660036, Russia
South Ural State University, SEC Nahenotechnology, Chelyabinsk/Russia
Siberian Federal University Krasnoyarsk/Russia
Technische Universitat Dresden, Dresden/Germany

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Yushina, I. D.; Slyusareva, E. A.; Krylova, S. N.; Крылова, Светлана Николаевна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Kaskel, S.; Senkovska, I.; International Conference on Metal-Organic Frameworks and Open Frameworks Compounds(8 ; 2022 ; Sept. 4-7 ; Dresden)
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Application of DUT-4 MOF structure switching for optical and electrical humidity sensing / A. S. Krylov, S. A. Shipilovskikh, S. N. Krylova [et al.] // Dalton Trans. - 2024. - Vol. 53, Is. 8. - P. 3459-3464, DOI 10.1039/D4DT00038B. - Cited References: 37. - The authors acknowledge the support by the state assignment of the Kirensky Institute of Physics FRC KSC SB RAS, also this work was financially supported by the RFBR (Russian Foundation for Basic Research), project no. 21-52-12018. S. A. S. acknowledges the financial support by the Russian Science Foundation (chemical part, Grant No. 22-73-10069 "Design and application of flexible metal organic frameworks for photonics devices"). V.A.M. acknowledges the Priority 2030 Federal Academic Leadership Program Ivan Sergeev (student in ITMO Univ.) for supporting in IV curve analysis. Raman, FTIR and SEM experiments were performed in the Center for Common Use of the Krasnoyarsk Scientific Center SB RAS (Krasnoyarsk, Russia) . - ISSN 1477-9226. - ISSN 1477-9234
Аннотация: The threshold structural transformation of the DUT-4 metal–organic framework (MOF) from an ordered to distorted phase during exposure to ambient conditions has been revealed. The in situ X-ray diffraction analysis, in situ Raman and FTIR spectroscopy, scanning electron microscopy and synchronous thermal analysis have been used for investigation. The reversible effect of exposure time and humidity on such a phase transition has been confirmed. We also demonstrated that the observed phase transition correlated well with changes in the optical and electronic properties of DUT-4, paving the way to a new family of MOF-based phase change materials for optoelectronic applications.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
ITMO University, St. Petersburg, Russia
Siberian Federal University, Krasnoyarsk, Russia
South Ural State University, Chelyabinsk, Russia
Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Akademgorodok 50, 660036 Krasnoyarsk, Russia
Institut Jean Lamour, Universite de Lorraine, UMR CNRS 7198, 54011 Nancy, France

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Shipilovskikh, S. A.; Krylova, S. N.; Крылова, Светлана Николаевна; Slyusarenko, N. V.; Timofeeva, M.; Kenzhebayeva, Yu. A.; Bachinin, S. V.; Yushina, I. D.; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Shestakov, N. P.; Шестаков, Николай Петрович; Nemtsev, I. V.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Milichko, V. A.
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Yushina, I. D.
Theoretical insights into the mechanical properties of DUT-8(Ni) MOF in the open and closed pore phases / I. D. Yushina, Y. V. Matveychuk, A. S. Krylov // Cryst. Growth Des. - 2024. - Vol. 24, Is. 4. - P. 1570-1577, DOI 10.1021/acs.cgd.3c01154. - Cited References: 48. - The work was financially supported by the Russian Foundation for Basic Research and DFG project number no. 21-52-12018 . - ISSN 1528-7483. - ISSN 1528-7505
Аннотация: Insights into the mechanical properties of DUT-8(Ni) MOF crystals capable of structural phase transitions are presented. The open and closed pore phases of DUT-8(Ni) are drastically different in their mechanical behavior. For the open-pore phase, a huge anisotropy of compressibility and shear modulus is observed, caused by the presence of two orthogonal motives formed by aromatic linkers bound with Ni atoms via Ni–O bonds. The possibility of easy shifting of linkers with breaking and formation of new Ni–O and Ni–N bonds at the application of shear stress, which is at the same time more stable at uniaxial stress, is shown on the basis of the stiffness tensor analysis. This fact assumes the flexibility of the open-pore phase crystals and their ability for structural transformation. The less prominent anisotropy of elastic moduli and the increased values of these moduli for the closed-pore phase crystals indicate the predominantly hardness and absence of flexibility of this phase.

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Держатели документа:
South Ural State University (National Research University), Chelyabinsk 454080, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Matveychuk, Y. V.; Krylov, A. S.; Крылов, Александр Сергеевич
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Determination of the pore direction in a crystalline metal-organic framework by Raman spectroscopy and periodic calculations based on the electron density functional theory / N. V. Slyusarenko, I. D. Yushina, E. A. Slyusareva [et al.] // Optoelectron. Instrum. Data Process. - 2023. - Vol. 59, Is. 6. - P. 693-702, DOI 10.3103/S8756699023060134. - Cited References: 32. - This work was supported by the Russian Foundation for Basic Research (Russian Center of Scientific Information), project no. 21-52-12018. - We are grateful to Dr. Irena Senkovska for the presented DUT-8 (Ni, Co) samples . - ISSN 8756-6990. - ISSN 1934-7944
Кл.слова (ненормированные):
Raman light scattering -- metal-organic framework -- pore orientation -- electron density functional theory
Аннотация: A method for the determination of pore orientation in metal-organic framework structures by polarized Raman spectra is proposed. The method involves sensitivity of the line intensity of Raman scattering to the geometry of propagation in a crystal. The operability of the method is shown by DUT-8 (Ni, Co) crystals. The obtained results are interpreted based on analysis of symmetry and direction of vibrations within periodic calculations of the electron density functional theory. The simultaneous approach allowed us to describe the vibrations and to find the principal crystal orientation collinear to the pore direction. The information on the pore orientation is necessary for problems of adsorption and design of complex multicomponent materials based on metal-organic framework.

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Публикация на русском языке Определение направления пор в кристаллическом металлоорганическом каркасе с помощью спектроскопии комбинационного рассеяния света и периодических расчётов, основанных на теории функционала электронной плотности [Текст] / Н. В. Слюсаренко, И. Д. Юшина, Е. А. Слюсарева [и др.]. - 11 с. // Автометрия. - 2023. - Т. 59 № 6. - С. 41-51

Держатели документа:
Siberian Federal University, 660041, Krasnoyarsk, Russia
South Ural State University, 454080, Chelyabinsk, Russia
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Slyusarenko, N. V.; Yushina, I. D.; Slyusareva, E. A.; Golovkina, E. V.; Головкина, Елена Вячеславовна; Krylova, S. N.; Крылова, Светлана Николаевна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Krylov, A. S.; Крылов, Александр Сергеевич
}
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Light-driven anisotropy of 2D metal-organic framework single crystal for repeatable optical modulation / Yu. A. Kenzhebayeva, N. K. Kulachenkov, S. S. Rzhevskiy [et al.] // Commun. Mater. - 2024. - Vol. 5, Is. 1. - Ст. 48, DOI 10.1038/s43246-024-00485-5. - Cited References: 84. - V.A.M. acknowledges the financial support from the Russian Science foundation (Grant Numb. 22-72-10027 “Flexible hybrid materials as active layer in memory devices”, work on pump-probe and nonlinear optical spectroscopuy) and the Priority 2030 Federal Academic Leadership Program. Y.A.K. acknowledges the financial support from the Russian Science foundation (Grant Numb. 19-79-10259 for transmission optical spectroscopy with heating and laser mode). S.S. acknowledges the financial support by the Government of the Russian Federation through the ITMO Fellowship and Professorship Program. P.A. acknowledge AFM Centre of ITMO University for help with the MOF mechanical characterization. Temperature-dependent SCXRD analysis was carried out at XRD facilities of NIIC operating with the support from the Ministry of Science and Higher Education of the Russian Science Federation (project 121031700321-3). The authors would like to thank Mirko Schoenitz and Irina Molodetsky for discussion of crystallographic data. A.K. acknowledges the financial support from RFBR and DFG (Grant Numb. 21-52-12018 for Raman measurements). Raman experiments have been performed in the Center of Common Use of the Krasnoyarsk Scientific Center SB RAS . - ISSN 2662-4443
Аннотация: Structural transformations of metal-organic frameworks (MOFs) go through a complex energy landscape with multiple intermediate states. Although the transformations allow controlling the functional properties of the MOFs, an imbalance between MOF flexibility and rigidity sets a fundamental barrier to achieving fast and multiple transformations. Here, we study the stimuli-responsive structural transformation in a 2D MOF assembled from paddle-wheel secondary building units joined by a semi-flexible organic ligand with 1,2,4-triazole and carboxylate groups with a rigid adamantane cage between them. The structure results in a distinctive combination of MOF flexibility and rigidity, thus, facilitating a continuous transformation driven by laser light. We reveal the laser-induced anisotropic thermal expansion nature of such transformation, initiating optical changes of the 2D MOF. The latter is utilized for fast and highly repeatable optical modulation of over 10,000 cycles. The endurance of such a 2D MOF-based optical modulator during 1 year of storage at ambient conditions paves the way to design tunable and robust MOFs for diverse applications.

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Держатели документа:
School of Physics and Engineering, ITMO University, St Petersburg, 197101, Russia
Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, Ekaterinburg, 620137, Russia
Center for Advancing Electronics, Technische Universitat Dresden, 01069, Dresden, Germany
Otto H. York Department of Chemical and Materials Engineering, New Jersey Institute of Technology, University Heights, Newark, NJ, 07102, USA
South Ural State University, Chelyabinsk, 454080, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk, 630090, Russia
Institut Jean Lamour, Universit de Lorraine, UMR CNRS 7198, 54011, Nancy, France

Доп.точки доступа:
Kenzhebayeva, Yu. A.; Kulachenkov, N. K.; Rzhevskiy, S. S.; Slepukhin, P. A.; Shilovskikh, V. V.; Efimova, A.; Alekseevskiy, P.; Gor, G. Y.; Emelianova, A.; Shipilovskikh, S.; Yushina, I. D.; Krylov, A. S.; Крылов, Александр Сергеевич; Pavlov, D. I.; Fedin, V. P.; Potapov, A. S.; Milichko, V. A.
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