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: 23rd Apr 2024, 09:47:28pm CEST

 
 
Session Overview
Session
MS-51: Molecular magnets and metal-organic frameworks including quantum crystallography approaches
Time:
Wednesday, 18/Aug/2021:
2:45pm - 5:10pm

Session Chair: Jozef Kozisek
Session Chair: Verónica Paredes-García
Location: Club B

50 1st floor

Invited: Ivan Němec (Czech Republic), Lorraine Andrade Malaspina (France)


Session Abstract

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.


Introduction
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Presentations
2:45pm - 2:50pm
ID: 1781 / MS-51: 1
Introduction
Oral/poster

Introduction to session

Jozef Kožíšek, Veronica Paredes-Garcia



2:50pm - 3:20pm
ID: 961 / MS-51: 2
Chemical crystallography, crystal structures
Invited lecture to session
MS: Molecular magnets and metal-organic frameworks including quantum crystallography approaches
Keywords: Single-Ion Magnets, Semicoordination, Magnetic Anisotropy

Semicoordination in Co(II) Single-Ion Magnets

Ivan Nemec1,2, Ondrej Frantisek Fellner1, Lubomír Havlíček2, Radovan Herchel1

1Palacky University, Olomouc, Czech Republic; 2Ceitec Brno Univeristy of Technology, Czech Republic

External Resource:
Video Link


3:20pm - 3:50pm
ID: 909 / MS-51: 3
Physics and fundamental crystallography
Oral/poster
MS: Molecular magnets and metal-organic frameworks including quantum crystallography approaches, Quantum crystallography in materials science, Quantum crystallography research
Keywords: agostic interactions, quantum crystallography, hydrogen atom parameters, Hirshfeld Atom Refinement

Quantum crystallography of systems with agostic interactions

Lorraine Andrade Malaspina, Simon Grabowsky

University of Bern, Department of Chemistry, Biochemistry and Pharmaceutical Sciences, Switzerland

External Resource:
Video Link


3:50pm - 4:10pm
ID: 1091 / MS-51: 4
Chemical crystallography, crystal structures
Oral/poster
MS: Molecular magnets and metal-organic frameworks including quantum crystallography approaches
Keywords: powder diffraction, magnetic anisotropy, polarized neutrons, single-molecule magnets

Field-dependent magnetic anisotropy in a single-ion magnet measured using polarized neutron powder diffraction

Emil Andreasen Klahn1, Andreas Munch Thiel1, Iurii Kibalin2, Arsen Gukasov2, Jacob Overgaard1

1Dept. of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark; 2Laboratorie Léon Brillouin, CEA-CNRS, CE-Saclay, 91191 Gif-sur-Yvette, France

External Resource:
Video Link


4:10pm - 4:30pm
ID: 528 / MS-51: 5
Bursary application
Poster
MS: Molecular magnets and metal-organic frameworks including quantum crystallography approaches, Crystal structure prediction, Crystallographic approaches for designing new framework materials (including post-synthetic modification), Porous framework materials for gas adsorption/separation, Function and application of porous crystals
Posters only: Solid state photochemistry - reactions, luminescence, optical property, etc, Porous materials, Theory, computation, modeling, data, standards (if it does not fit to any specific topics)
Keywords: Metal-organic framework, charge transfer, conductivity, redox-active ligand, density functional theory

Through-space intervalence charge transfer in cobalt based Metal-organic framework: an experimental and theoretical study

AKASHDEEP NATH, SURYAKANTA TANTY, VENNAPUSA SIVARANJANA REDDY, SUKHENDU MANDAL

IISER THIRUVANANTHAPURAM, KERALA, INDIA

Bibliography
(1) Reversible Polymorphic Structural Transition of Crown-like Nickel Nanoclusters and Its Effect on Conductivity. Sukhendu Mandal, Manju M Maman, Akashdeep Nath, Anjusree Sreedharan, Bikas C Das. Chem. Commun., 2021, Accepted Manuscript.
(2) Reentrant Spin-glass behaviour in cobalt (II) based coordination polymers. Akashdeep Nath, S. S. Islam, Prashanta Mukharjee, Ramesh Nath, Sukhendu Mandal. Cryst. Growth Des., 2019, 19, 6463-6471.
(3) Frustrated magnetism in Cu(II) based metal-organic framework. Akashdeep Nath, Sayan Das, Prashanta Mukharjee, Ramesh Nath, Denis Kuznetsov, Sukhendu Mandal. Inorganica Chimica Acta, 2019, 486, 158-161
External Resource:
Video Link


4:30pm - 4:50pm
ID: 796 / MS-51: 6
Physics and fundamental crystallography
Oral/poster
MS: Molecular magnets and metal-organic frameworks including quantum crystallography approaches, Magnetic structures of novel and functional materials
Keywords: magnetic molecular frameworks, layered magnetism, neutron diffraction

Magnetism of 2D Thiocyanates

Matthew James Cliffe1, Madeleine Geers1,2, Laura Cañadillas Delgado2, Euan Bassey3

1School of Chemistry, University of Nottingham, University Park, United Kingdom; 2Institut Laue Langevin, Grenoble, France; 3Dept. of Chemistry, Lensfield Road, University of Cambridge

External Resource:
Video Link


4:50pm - 5:10pm
ID: 1271 / MS-51: 7
Chemical crystallography, crystal structures
Oral/poster
MS: Molecular magnets and metal-organic frameworks including quantum crystallography approaches
Keywords: single-crystal diffraction, high-pressure crystallography, single-molecule magnets

High-Pressure Studies of Single-Molecule Magnets

Andreas Munch Thiel, Marie Steenberg Norre, Jacob Overgaard

Dept. of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark

External Resource:
Video Link


 
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