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: 17th Apr 2024, 12:08:04am CEST
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Session Overview |
| Session | ||
MS-59: Crystal chemistry with emerging technology I
Invited: Sota Sato (Japan), Marijana Dakovic (Croatia) | ||
| Session Abstract | ||
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Development and understanding of solid state chemistry is the key to promote the challenges of emerging and sustainable technologies. Functional materials and devices with targeted applications in several fields as catalysis, purification, separation, electronics, medicine, etc. will be the focus of the MS. Experimental, theoretical, and their merged studies are welcomed to the MS. For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below. Continuation of MS-76 | ||
| Introduction | ||
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10:20am - 10:25am
ID: 1790 / MS-59: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 582 / MS-59: 2 Chemical crystallography, crystal structures Invited lecture to session MS: Crystal chemistry with emerging technology Keywords: aromatic macrocycle, nanochannel, powder diffraction, single-crystal diffraction, lithium ion battery Functional crystalline materials based on macrocyclic nanochannels Department of Applied Chemistry, The University of Tokyo, Tokyo, Japan External Resource:
 10:55am - 11:25am
ID: 968 / MS-59: 3 Chemical crystallography, crystal structures Oral/poster MS: Solid state reactions and dynamics, Stimuli-responsive crystalline compounds, Crystal chemistry with emerging technology Keywords: crystals flexibilty, extrnal mechanical stimuli, coordination polymers, intemolecular interactions, micro-focus SCXRD Variable adaptability of coordination polymers of cadmuim(II) to external mechanical stimuli University of Zagreb, Zagreb, Croatia External Resource:
11:25am - 11:45am
ID: 162 / MS-59: 4 Bursary application Poster MS: Solid state reactions and dynamics, Crystal chemistry with emerging technology, Combining X-ray diffraction and spectroscopy to characterise materials Posters only: Solid state photochemistry - reactions, luminescence, optical property, etc Keywords: Photoswitching, spirorhodamines, solid-state, synchrotron, single-crystal X-ray diffraction In situ photoswitching of spirorhodamines isomers in solid-state 1Buenos Aires University, CABA, Argentina.; 2IIB, UNSAM, 25 de mayo y Francia, San Martín Buenos Aires, Argentina.; 3ECyT, UNSAM, 25 de mayo 1169, San Martín, Buenos Aires, Argentina. Bibliography
Last 5 year, I have published 23 peer-reviewed publications in international journals and 3 book chapters. Two publications were journal covers and in three I am the corresponding author. These have been cited 730 times, giving rise to an h-index of 13, excluding self-citations of all authors. Values were obtained from Scopus, January 2020. https://www.researchgate.net/profile/Sebastian_Suarez5 ; orcid.org/0000-0003-0236-5743 ; Scopus Author ID: 22136548800 Selected publications: 1.Design and characterization of pH-sensitive spirorhodamine 6G probes: rational synthesis towards tunable photophysical properties. Matías Di Paolo, Fernando M. Boubeta, Julieta Alday, Mateo Michel Torino, Pedro F. Aramendía, Sebastian A. Suarez* and Mariano L. Bossi*. J. Photochem Photobiol A: Chemistry, 384, 112011, 2019. *Corresponding author 2.Synthesis, structural elucidation, and antiradical activity of a copper (II) naringenin complex. Gustavo Céliz, Sebastian A. Suarez, Analia Arias, Jose Molina and Fabio Doctorovich. Biometals, 32, 595–610, 2019. 3.Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion. Miguel Angel Harvey, Sebastián Suarez, Pavel N. Zolotarev, Davide M. Proserpio and Ricardo Baggio. Acta Crystallographica Section C: Structural Chemistry, C74, 351-359, 2018. Cover. 4.A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-(hexyloxy)-3-hydroxyphenyl)ethanone. Sebastián A. Suárez, Veronica E. Manzano, Adolfo C. Fantoni, Emilia Halac, Ricardo Baggio and Fabio D. Cukiernik, Acta Crystallographica Section C: Structural Chemistry, C73, 1137-1143, 2017. 5.Crystallographic and computational study of a supramolecular network composed of ZnCl42- anions and triply protonated 4’-functionalized terpyridine cations. Juan Granifo, Sebastián A. Suárez,* Fernando M. Boubeta and Ricardo Baggio. Acta Crystallographica Section C: Structural Chemistry, C73, 1121-1130, 2017. *Corresponding author 6.HNO is produced by the reaction of NO with thiols. Sebastian A. Suarez, Martina Muñoz, Lucia Alvarez, Mateus Venâncio, Willian Rocha, Damian E. Bikiel, Marcelo A. Marti and Fabio Doctorovich. J. Am. Chem. Soc., 139 (41), 14483–14487, 2017. 7.Polymorphism of a widely used building-block for halogen bonded assemblies: 1,3,5-trifluoro-2,4,6-triiodobenzene. Pablo Raffo, Sebastian Suarez, Adolfo Fantoni, Fabio D. Cukiernik and Ricardo Baggio, Acta Crystallographica Section C: Structural Chemistry, C73, 667-673, 2017. 8.Two rhodamine 6G derivative compounds: a structural and fluorescence single crystal study. Matias Di Paolo, Mariano L. Bossi, Ricardo Baggio and Sebastián A. Suarez*, Acta Crystallographica Section B: Structural science, crystal engineering and materials, B72, 684-692, 2016. *Corresponding author. Cover External Resource:
11:45am - 12:05pm
ID: 1397 / MS-59: 5 Chemical crystallography, crystal structures Poster MS: Crystal chemistry with emerging technology Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: multicentric two-electron bonding, high-pressure, low temperature, X-ray diffraction. The pancake-bonding of semiquinone radicals under variable pressure and temperature conditions. 1Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia; 2Novosibirsk State University, Novosibirsk, Russia; 3Ruđer Bošković Institute, Zagreb, Croatia External Resource:
12:05pm - 12:25pm
ID: 885 / MS-59: 6 Chemical crystallography, crystal structures Oral/poster MS: Crystal chemistry with emerging technology Keywords: single crystal X-ray analysis; azulene; isonitriles; thiols; organometallic compounds Structural chemistry of azulenes 1Missouri State University, Springfield, Missouri, United States of America; 2University of Kansas, Lawrence, Kansas, United States of America External Resource:
12:25pm - 12:45pm
ID: 993 / MS-59: 7 Bursary application Oral/poster MS: Quantum crystallography in materials science, Crystal chemistry with emerging technology, Quantum crystallographic studies on intra/inter-molecular interactions, Non-covalent interactions in crystal engineering, Crystallization mechanisms of small molecule systems Keywords: Crystal structure; intermolecular interaction; supramolecular assembly; Hirshfeld surfaces; non-covalent interaction; Understanding the role of non-covalent interactions in the acridine with different acids of salt molecules 1Laboratory of Biocrystallography and Computational Molecular Biology Department of Physics, Periyar University, Salem-636 011, India; 2Faculty of Chemistry, University of Warsaw, Warsaw-02093, Poland Bibliography
1.Crystal Structure and Hirshfeld surface analysis of 4-aminopridine thiocyanate – 4-amino pyridine (1/1). (Paper published in Acta Cryst E Crystallographic Communications) 2.Investigation of bond topological and electrostatic properties of plumbagin molecule: An experimental and theoretical Charge-density study. (Paper Published in Elsevier journal- Journal of Molecular Structure) 3.Supramolecular Co-crystal of 2-amino-4-methoxy-6-methyl pyrimidine with sorbic acid: Synthesis, Crystal Structure and Hirshfeld surface analysis. (Paper Published in Elsevier journal- Chemical Data Collection). 4.Supramolecular architectures, Hirshfeld surface analysis of 2-Amino 4-methyl pyridinium 4 amino salicylate and 2-Amino 4-methyl pyridinium 5 chloro salicylate (Paper Published in Elsevier journal- Chemical Data Collection) External Resource:
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