MC16 2023 - Poster Book of abstracts

Unveiling the structure of metal-covalent organic frameworks: a combined experimental and theoretical approach Seán Hennessey 1 , Roberto González-Gómez 1 , Nicolás Arisnabarreta 2 , Anna Cotti 3 , Nadezda V. Tarakina 4 , Jing Hou 4 Kunal Mali 2 , Max García-Melchor 3 , Steven De Feyter 2 Markus Antonietti 4 , Pau Farràs 1 1 School of Biological and Chemical Sciences, Ryan Institute, University of Galway, H91 CF50, Galway, Ireland, 2 KU Leuven, Department of Chemistry, Division of Molecular Imaging and Photonics, Celestijnenlaan 200F, 3001 Leuven, Belgium, 3 School of Chemistry, Trinity College Dublin College Green, Dublin 2, Ireland, D02 PN40, 4 Max-Planck-Institut für Kolloidund Grenzflächenforschung Am Mühlenberg 1, 14476 Potsdam, Germany Renewable and sustainable sources of energy are becoming essential to tackle the growing issue of global warming. Due to the abundance and cleanliness of the energy source, using solar technologies to drive chemical reactions is a further milestone for the scientific community. [1] The development of new multifunctional materials that respond to the stimulus of visible light is an ever-growing area of materials chemistry. Porous materials that combine high molecular tunability, supramolecular functionality and excellent structural definition, namely metal-covalent organic frameworks (MCOFs), arise as promising materials for improving solar-driven reactions. [2] However, due to its complexity, a bottleneck to designing more efficient materials is their structural characterisation. COF-based systems have been studied using advanced microscopy techniques for some time, to great effect. [3] But to the best of our knowledge, structural characterisations at the nanoscopic level of MCOF systems is considerably lacking. In this work, a model MCOF containing ruthenium (II) polypyridyl linkers and tetrasubstituted pyrene nodes for their use in light harvesting applications has been synthesised. A combined experimental and theoretical approach to elucidate its structure, by combining several spectroscopy methodologies, state-of-the-art microscopy techniques, and DFT studies, is presented. References 1. Garrido-Barros, P.; Funes-Ardoiz, I.; Farràs, P.; Gimbert-Suriñach, C.; Maseras, F.; Llobet, A. Catalytic Oxidation in Organic Synthesis , 2017 , pp 63–79. 2. Fu, Z.; Wang, X.; Gardner, A.M.; Wang, X.; Chong, S.Y.; Neri, G.; Cowan, A.J.; Liu, L.; Li, X.; Vogel, A; Clowes, R. Chemical Science , 2020 , 11 (2) 543–550. 3. Sahabudeen, H.; Qi, H.; Ballabio, M.; Položij, M.; Olthof, S.; Shivhare, R.; Jing, Y.; Park, S.; Liu, K.; Zhang, T.; Ma, J.; Rellinghaus, B.; Mannsfeld, S.; Heine, T.; Bonn, M.; Cánovas, E.; Zheng, Z.; Kaiser, U.; Dong, R.; Feng, X. Angew. Chemie Int. Ed. 2020, 59 (15), 6028–6036.

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