Conference Agenda

Session
MS-94: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering
Time:
Saturday, 21/Aug/2021:
10:20am - 12:45pm

Session Chair: Igor Huskić
Session Chair: Tomoji Ozeki
Location: Club D

50 1st floor

Invited: Helen Maynard-Casely (Australia), Ulrich Kortz (Germany)


Session Abstract

In recent years, discoveries of naturally occurring species with properties and structures similar to those of metal-organic frameworks (MOFs), polyoxometallates (POMs) and others have challenged the view of the latter as purely synthetic, man-made materials. Moreover, the application of  geomimetic synthetic methods such as accelerated ageing or pseudomorphic replication has enabled a more facile, environmentally friendly synthesis of materials with controllable properties. The guiding principles behind chemistry and crystal engineering are easily identifiable in these natural materials and processes. The topic of this microsymposium is centered on the emerging interface of geological and chemical species and methods, aiming to provide a platform for the exchange of ideas and experiences across the fields of materials science, chemistry and geology. This synergy will lead towards prediction of as of yet undiscovered mineral species and the hierarchical design and synthesis of novel functional materials utilizing biological and synthetic complex building blocks.


Introduction
Presentations
10:20am - 10:25am
ID: 1824 / MS-94: 1
Introduction
Oral/poster

Introduction to session

Igor Huskić, Tomoji Ozeki



10:25am - 10:55am
ID: 150 / MS-94: 2
Chemical crystallography, crystal structures
Invited lecture to session
MS: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering
Keywords: polyoxometalates, noble metals, catalysis, magnetism, electrochemistry

Discrete polyoxometalates: from geochemistry via crystal engineering to functional materials

Ulrich Kortz

Jacobs University, Bremen, Germany



10:55am - 11:25am
ID: 720 / MS-94: 3
Materials and minerals
Invited lecture to session
MS: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering
Keywords: Organic minerals, Titan, Ethane, Acrylonitrile, Propyne

Exploration of organic minerals on Saturn’s moon Titan

Helen Maynard-Casely1, Rob Hodyss2, Tuan Vu2, Michael Malaska2, Mathieu Choukroun2, Morgan Cable2, Tom Runčevski3

1Australian Nuclear Science and Technology Organisation, Kirrawee DC, Australia; 2NASA Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, USA; 3Department of Chemistry, Southern Methodist University, Dallas, TX, USA



11:25am - 11:45am
ID: 762 / MS-94: 4
Chemical crystallography, crystal structures
Oral/poster
MS: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering
Keywords: Metallosupramolecules, Polyoxometalate, Crystal Flask

A Crystal Flask Composed of Huge Cage-of-Cage Metallosupramolecules for the Formation of Polyoxomolybdate

Tatsuhiro Kojima, Benny Wahyudianto, Takumi Konno

Osaka University, Osaka, Japan



11:45am - 12:05pm
ID: 311 / MS-94: 5
Bursary application
Oral/poster
MS: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering, Theory and practice of supramolecular synthons in crystal engineering, Non-covalent interactions in crystal engineering
Keywords: Ductility; energy framework; crystal engineering

Autonomous Recombination and Selfhealing of Fracture in Piezoelectric Organic Crystals: Scopes in Crystal Engineering

Surojit Bhunia, Chilla Malla Reddy

Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Kolkata, India

Bibliography
1. S. Bhunia, S. Chandel, S. K. Karan, S. Dey, A. Tiwari, S. Das, N. Kumar, R. Chowdhury, S. Mondal, I. Ghosh, A. Mondal, B. B. Khatua, N. Ghosh*, C. M. Reddy* ; Autonomous self-repair in piezoelectric molecular crystals; Science. 2021, 373, 321-327
2. K. Dey, S. Bhunia, H. Sashmal, C. M. Reddy*, R Banerjee* ; Self-assembly Driven Nano-mechanics in Porous Covalent Organic Framework Thin Films; J. Am. Chem. Soc. 2021, 143 (2), 955-963
3. Y Su, S Bhunia, S Xu, A Chen, CM Reddy*, T Cai*; Structure–Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique; Chem. Mater. 2021, 33, 12, 4821–4829
4. B. Bhattachary, D. Roy , S. Dey, A. Puthuv akkal, S. Bhunia, S. Mondal, R. Chowdhury , Dr. M. Bhattachary a, M. Mandal, Dr. K. Manoj* P. K. Mandal* and C. M. Reddy*; ; Mechanical bending induced fluorescence enhancement in plastically flexible crystals of a GFP chromophore analogue; Angew. Chem. Int. Ed. 2020, 59, 1 – 7
5. M Annadhasan, A R. Agrawal, S Bhunia, V V Pradeep, S S. Zade*, C M Reddy* and R Chandrasekar*; ; Mechanophotonics: Flexible Single-Crystal Organic Waveguides and Circuits; Angewandte Chemie. 2020, 59,2–9 Hot Article
6. A Mondal, B Bhattacharya, S Das, S Bhunia, R Chowdhury, S Dey, C. Malla Reddy*; Metal‐like ductility in organic plastic crystals: Role of molecular shape and dihydrogen bonding interactions in aminoboranes; Angewandte Chemie. 2020, 59, 2-12
7. Arabiani, M.R., Bhunia, S., Teja, P.K., Lodagekar, A., Chavan, R.B., Shastri, N.R., Reddy, C.M., Shelat, P. and Dave, D., 2019. "Brexpiprazole–catechol cocrystal: structure elucidation, excipient compatibility and stability." CrystEngComm, 21(44), pp.6703-6708.
8. Bhattacharya, B., Mondal, A., Soni, S.R., Das, S., Bhunia, S., Raju, K.B., Ghosh, A. and Reddy, C.M., 2018. "Multidrug salt forms of norfoxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies." CrystEngComm, 20(41), pp.6420-6429.


12:05pm - 12:25pm
ID: 665 / MS-94: 6
Bursary application
Oral/poster
MS: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering, Crystal chemistry with emerging technology, Porous framework materials for gas adsorption/separation
Keywords: Crystalline sponge method, Metal-Organic Framework

Encapsulations of terpenes, aromatic and non-aromatic compound in metal-organic framework via the crystalline sponge method.

Faiza Habib, Derek Tocher, Claire Carmalt

University College London, London, United Kingdom

Bibliography
Faiza Habib et al., Microporous & Mesoporous Materials. 2020, 308, 110548
J Hiroaki Iguchi, Faiza Habib et al., J.Am.Chem.Soc. 2019, 141, 6802−6806


12:25pm - 12:45pm
ID: 411 / MS-94: 7
Bursary application
Poster
MS: Crystal structure prediction, Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering, Complex structures of minerals and inorganic materials, Crystallographic approaches for designing new framework materials (including post-synthetic modification), Disordered materials: spectroscopic and scattering techniques
Posters only: Porous materials
Keywords: Diffuse, MOFs, disorder, correlated, aperiodic

Correlated Linker Disorder in Metal-Organic Frameworks

Emily Gabrielle Meekel

University of Oxford, Oxford, United Kingdom

Bibliography
Meekel, E.G. and Goodwin, A.L. (2021). CrystEngComm.

Paper submitted to Journal of Materials Chemistry A: Kuzmina, O., Meekel, E. G., Rowe, R., McIntosh, A.J.S., Hunt, P. A., Ohno, H. “A-priori design meets optimal synthesis: new highly conducting anion-polymer ionic liquids.”

Paper in preparation: Bara, D., Meekel, E. G., Wilson, C., Forgan, R. S. “Exploring the Phase Space in Iron Terephthalate Metal-Organic Frameworks.”