XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 19th Apr 2024, 04:08:47am CEST
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Session Overview |
| Session | ||
MS-43: Solid state reactions and dynamics
Invited: Hiroyoshi Ohtsu (Japan), Paolo Pio Mazzeo (Italy) | ||
| Session Abstract | ||
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Chemical reactions and dynamic behavior in the solid-state are intriguing as they allow the understanding of chemical processes that in the solution state are difficult or even not possible. Often unusual reactivity is observed, in part due to the constrained environment brought by the periodic arrangement of molecules or ions in the solid state, but also because of the dynamic properties of the solids. This session will deal with solid-state reactivity in a wide type of materials ranging from porous Metal-Organic Frameworks (MOFs), fluoride materials, soft metal organic complexes, that are exposed to external stimuli such as moisture, guest molecules, light or temperature. The solid-state reactivities presented in this session have used various X-ray crystallographic techniques such as single crystal XRD, powder XRD (Rietveld) and PDF analysis among other techniques to elucidate the solid-state products. For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below. | ||
| Introduction | ||
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10:20am - 10:25am
ID: 1774 / MS-43: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 494 / MS-43: 2 Bursary application Invited lecture to session MS: Solid state reactions and dynamics Keywords: crystalline sponge method, MOFs, nanoaggregates, molecular motion, crystal-to-crystal investigation Stepwise evolution of molecular nanoaggregates inside the pores of a highly flexible Metal-Organic Framework. 1Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di Parma, Viale delle Scienze, 17A, 43124 Parma (Italy); 2Biopharmanet-TEC, Università degli studi di Parma via Parco Area delle Scienze 27/A, 43124 Parma (Italy); 3Elettra—Sincrotrone Trieste S.S. 14 Km 163.5 in Area Science Park, 34149 Basovizza—Trieste (Italy); 4Centro Interuniveristario di Reattività Chimica e Catalisi (CIRCC) Via Celso Ulpiani 27, 70126 Bari (Italy) Bibliography
1. P. P. Mazzeo, S. Canossa, C. Carraro, P. Pelagatti, A. Bacchi*, Systematic coformer contribution to cocrystal stabilization: energy and packing trends, CrystEngComm, 2020, (under review). 2. P. P. Mazzeo*, A. Bacchi, P. Pelagatti, Crystal Engineering guidelines for Ruthenium based wheel-and-axle compounds, Coord. Chem. Rev. 2020 (under review). 3. F. Pancrazzi, N. Sarti, P. P. Mazzeo, A. Bacchi, C. Carfagna, R. Mancuso, B. Gabriele, M. Costa, A. Stirling, N. Della Ca', Site-Selective Double and Tetra Cyclization Routes to Fused Polyheterocyclic Structures by Pd-Catalyzed Carbonylation Reactions, Org. Lett. 2020, 22, 4, 1569-1574 4. F. Bianchi, A. Pankajakshan, F. Fornari, S. Mandal, P.Pelagatti, A. Bacchi, P. P. Mazzeo, M. Careri, A Zn mixed-ligand microporous metal-organic framework as solid-phase microextraction coating for the analysis of polycyclic aromatic hydrocarbons at trace levels, Microchemical Journal 2020, 154, 104646 1-7 5. P. P. Mazzeo, C. Carraro, A. Arns, P. Pelagatti, A.Bacchi, Diversity through Similarity: A World of Poly-morphs, Solid Solutions, and Cocrystals in a Vial of 4,4′-Diazopyridine, Cryst. Growth Des. 2020, 20, 2, 636-644 6. D. Balestri, P. P. Mazzeo, C. Carraro, N. Demitri, P. Pelagatti, A. Bacchi, Stepwise evolution of molecular nanoaggregates inside the pores of a highly flexible metal-organic framework. Angew.Chem. 2019, 131, 17503–17511 7. P. P. Mazzeo*, C. Carraro, A. Monica, D. Capucci, P. Pelagatti, F. Bianchi, S. Agazzi, M. Careri, A. Raio, M. Carta, F. Menicucci, M. Belli, M. Michelozzi and A. Bacchi, Designing a palette of Cocrystals based on Essential Oil constituents for agricultural applications, ACS Sustainable Chem. Eng. 2019, 7, 21, 17929-17940 8. D. Balestri, P. Scilabra, C. Carraro, A. Delledonne, A. Bacchi, P. P. Mazzeo, L. Carlucci and P. Pelagatti, Structural, thermal and topological characterization of coordination networks containing flexible aminocarbox-ylate ligands with a central biphenylene scaffold, CrystEngComm, 2019, 21, 6365-6373 9. A. Casnati, A. Perrone, P. P. Mazzeo, A. Bacchi, R. Mancuso, B. Gabriele, R. Maggi, G. Maestri, E. Motti, A. Stirling, N. Della Ca', Synthesis of Imidazolidin-2-ones and Imidazol-2-ones via Base-Catalyzed Intramolecular Hydroamidation of Propargylic Ureas under Ambient Conditions, J. Org. Chem. 2019, 84, 6, 3477-3490 10. M.A. Ben Abdallah, A.Bacchi, A. Parisini, S. Canossa, P. P. Mazzeo, L. Bergamonti, S. Kamoun, X-ray, optical, vibrational, electrical, and DFT study of the polymorphic structure of ethylenediammonium bis iodate α-C2H10N2(IO3)2 and β-C2H10N2(IO3)2, Struct. Chem. 2019, 30, 1911-1928 11. M. B. Abdallah, A. Bacchi, A. Parisini, P. P Mazzeo, F. Terenziani, L. Marchiò, S. Kamoun, Structure, vibra-tional, electrical and optical study of [C2H10N2] (IO3)2·4HIO3, J. Mol. Str., 2019, 1179,18-32 External Resource:
 10:55am - 11:25am
ID: 1247 / MS-43: 3 Chemical crystallography, crystal structures Invited lecture to session MS: Solid state reactions and dynamics Keywords: Coordination networks, Metal Organic Frameworks, Luminescence, Iodine Kinetic assembly of coordination networks creates flexible and functional materials Tokyo Institute of Technology, Meguro-ku, Tokyo, Japan External Resource:
11:25am - 11:45am
ID: 933 / MS-43: 4 Chemical crystallography, crystal structures Oral/poster MS: Solid state reactions and dynamics Keywords: in-situ powder diffraction, battery materials In-situ XRD and PDF investigation of battery fluoride materials MF3.3H2O (M = Fe, Cr) in controlled atmosphere: accessing new phases with controlled chemistry 1Malvern Panalytical B.V., Almelo, Netherlands, The; 2School of Chemical Science and Engineering, Royal Institute of Technology, Teknikringen 42, SE 100 44 Stockholm, Sweden; 3Université Grenoble Alpes, Institut Néel, F-38042 Grenoble, France External Resource:
11:45am - 12:05pm
ID: 524 / MS-43: 5 Bursary application Oral/poster MS: Solid state reactions and dynamics Keywords: photoisomerization, photocrystallography, NO2-complexes Light- and temperature-induced linkage isomerism in a series of NiII, CuII and CoIII complexes in the solid state 1Department of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089 Warsaw, Poland; 2Department of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland; 3CRM2, Jean Barriol Institute, CNRS UMR 7036, University of Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy, France Bibliography
[1] Hatcher L. E., Skelton J. M, Warren M. R., Raithby P. R., (2019) Accounts of Chemical Research, 52, 4, 1079-1088. [2] Kutniewska S. E., Kamiński R., Buchowicz W. , Jarzembska K. N.,(2019) Inorg. Chem., 58, 24, 16712-16721. External Resource:
12:05pm - 12:25pm
ID: 513 / MS-43: 6 Bursary application Oral/poster MS: Solid state reactions and dynamics Posters only: Methods, instrumentation (if it does not fit to any specific topics) Keywords: X-ray diffraction, X-ray acoustooptics, Longitudinal oscillations, Transverse oscillations Studies of the functional characteristics of adaptive X-ray optical elements based on combination of longitudinal and transverse acoustic waves in wide frequency ranges 1NRC “Kurchatov institute”, 1, Akademika Kurchatova pl., Moscow, Russia, 123182; 2FSRC “Crystallography and photonics” RAS, 59, Leninskii pr., Moscow, Russia, 119333; 3Institute of Applied Problems of Physics NAS of Armenia, 25, Hrachya Nersissian Str., Yerevan, Republic of Armenia, 0014; 4Tomsk Polytechnic University, 30, Lenin Avenue, Tomsk, Russia, 634050 Bibliography
Kovalchuk M.V, Targonskii A.V., Blagov A.E., Zanaveskina I.S., Pisarevskii Y.V., New method for measuring rocking curves in x-ray diffractometry by ultrasonic modulation of the lattice parameter// Crystallography reports, 2011, 56, 5, 828-831 Blagov A.E., Darinskii A.N., Targonskii A.V., Prosekov P.A., Pisarevskii Y.V. Kovalchuk M.V., X-ray acoustic resonators for controlling the spatial characteristics of x-radiation// Acoustical physics, 2013, 59, 5, 506-512 Blagov A.E., Targonskii A.V., Prosekov P.A., Eliovich Y.A., Measurement of rocking curves of crystals using an acoustically tunable monochromator// Crystallography reports, 2015, 60, 2, 167-171 Blagov A.E., Pisarevskii Y.V., Targonskii A.V., Eliovich I.A., Kovalchuk M.V., Bykov A.S., Kubasov I.V., Malinkovich M.D., An electromechanical x-ray optical element based on a hysteresis-free monolithic bimorph crystal// Instruments and experimental techniques, 2016, 59, 5, 728-732 Blagov A.E., Pisarevskii Y.V., Prosekov P.A., Targonskii A.V., Eliovich Y.A., Protsenko A.I., Kovalchuk M.V. Development of methods for ultrasonic scanning of x-ray wavelength //Crystallography Reports. 2017. V. 62. № 6. P. 831-836. Blagov A.E., Vasil’ev A.L., Ivanova A.G., Kulikov A.G., Marchenkov N.V., Prosekov P.A., Pisarevskii Y.V., Targonskii A.V., Chernaya T.S., Presnyakov M.Y., Dmitriev V.P., Chernyshov D.Y., Popov P.A. Study of the specific features of single-crystal boron microstructure // Crystallography Reports. 2017. V. 62. № 5. P. 692-702. Mololkin A.A., Protsenko A.I., Blagov A.E., Vinogradov A.V., Lomonov V.A., Pisarevskii Y.V., Targonskii A.V., Eliovich Y.A. Investigations of the Growth Processes of Bismuth-Germanate Crystals (Bi12GeO20) from the Melt using the X-Ray Diffraction Characteristics of Natural Lateral Faces // Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques. 2018. V. 12. № 1. P. 69-74. Blagov A.E., Pisarevskii Y.V., Targonskii A.V., Eliovich Y.A., Koval’chuk M.V. Evolution of x-ray rocking curves for paratellurite and lithium fluoride crystals under intense ultrasound //Physics of the Solid State. 2017. Т. 59. № 5. С. 973-976. Buzanov, N. S. Kozlova, A. P. Kozlova, E. V. Zabelina, A. E. Blagov, I. A. Eliovich, A. G. Kulikov, A. V. Targonskiy Crystal growth and optical properties of Ca3TaGa3Si2O14 single crystals // Japanese Journal of Applied Physics, 57 11UD08 (2018) A. Kulikov, A. Blagov, N. Marchenkov, A. Targonsky, Ya. Eliovich, Yu. Pisarevsky, M. Kovalchuk LiNbO3-based Bimorph Piezoactuator for Fast X-Ray Experiments: Static and Quasistatic Modes // Sensors and Actuators A — 2019 291 – p.68–74 N. Marchenkov, A. Kulikov, A. Targonsky, Ya. Eliovich, Yu. Pisarevsky, A. Seregin, A. Blagov, M. Kovalchuk LiNbO3-based bimorph piezoactuator for fast X-Ray experiments: Resonant mode// Sensors and Actuators A: Physical 293, 48-55, 2019 I.A. Eliovich, V.I. Akkuratov, A.V. Targonskii, A.E. Blagov Rocking Curve Measurement for Deformed Crystals Using an Adaptive X-Ray Optical Bending Monochromator// Crystallography Reports, 2018, Vol. 63, No. 5, pp. 724–728 Ya. A. Eliovich, A. V. Targonskii, A. N. Darinskii, P. A. Prosekov, Yu. V. Pisarevsky, A. E. Blagov, V. I. Akkuratov, V. A. Lomonov, V. R. Kocharyan, A. R. Mkrtchyan, M. V. Kovalchuk Multiple-Wave Interaction of X-Rays in a Paratellurite Crystal under Excitation of Ultrasonic Vibrations // Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques, 2019, Vol. 13, No. 4, pp. 570–577 A.R. Mkrtchyan, A.E. Blagov, V.R. Kocharyan, A.G. Kulikov, A.E. Movsisyan, T.R. Muradyan, A.V. Targonsky, Ya. A. Eliovich, A.N. Darinski, Yu.V. Pisarevsky, M.V. Kovalchuk Distribution of Deformations in the Oscillating X-Ray Acoustic Element Based on the X-Cut Quartz Crystal. // J. Contemp. Phys. 54, 210–218 (2019) Blagov A.E., Pisarevskii Y.V., Prosekov P.A., Targonskii A.V., Eliovich I.A., Kovalchuk M.V., New possibilities of X-ray acoustooptics// RFBR News, 2014, april-june, 2(82), 14-18 Balagurov A.M., Kovalchuk M.V, Targonskii A.V., Blagov A.E., Zanaveskina I.S., Pisarevskii Y.V., The Study of a Defect Structure of Crystalline Materials Using Neutron and X-Ray Acoustic Diffraction. Development of the X-Ray Acoustic Method of Studying the Dynamics of Mechanical Deformation of Crystals «In Situ»//RFBR News, 2015, april-june, 2(86), 85-90 External Resource:
12:25pm - 12:45pm
ID: 888 / MS-43: 7 Chemical crystallography, crystal structures Oral/poster MS: Solid state reactions and dynamics Keywords: photochromism, crystalline-state photoisomerization, soft crystal, salicylidenaniline, spiropyran In situ control of Photochromic properties with dual photoreactive soft crystal Department of Chemistry, Tokyo Institute of Technology, Tokyo, Japan External Resource:
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