Design of catalytic metal-organic assemblies via shape complementarity and conformational constraints in dual curvature ligands

23 November 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Non-covalent interactions play an essential role in the folding and self-assembly of large biological assemblies. These interactions are not only a driving force for the formation of large structures but also control conformation and com-plementary shapes of subcomponents that promote the diversity of structures and functions of the resulting assemblies. Understanding how non-covalent interactions direct self-assembly and the effect of conformation and complementary shapes on self-assembled structures will help design artificial supramolecular systems with extended components and functions. Herein, we develop a strategy for controlling more complex self-assembly with lower symmetry and flexible building blocks that combine endohedral non-covalent interactions with a dual curvature in the ligand backbone to give additional shape complementarity. A Diels-Alder reaction was used to break the symmetry of the diazaanthracene units of the ligands to give dual curvature ligands with different shapes and endohedral groups (L1-L3). The self-assembly studies of these ligands demonstrated that non-covalent interactions and shape complementary effectively control the self-assembly and enable the design of cages for supramolecular catalysis.

Keywords

Coordination cages
Palladium
Supramolecular Catalysis
Selective Self-Assembly
Endohedral Functionalization

Supplementary materials

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Description
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Supporting Information
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Complete experimental procedures, additional spectra figures, and tables of NMR, ESI-TOF-MS, CIF and crystal data.
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Pd4(L3)8
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Cif file for Pd4L38
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Pd2(L1)4
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cif file for Pd2(L1)4
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Pd4(L2)8
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cif file for Pd4(L2)8
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