Dynamic characterization of crystalline supramolecular rotors assembled through halogen bonding

L. Catalano, S. Pérez-Estrada, G. Terraneo (Corresponding Author), T. Pilati, G. Resnati, Pierangelo Metrangolo (Corresponding Author), M. Garcia-Garibay (Corresponding Author)

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Abstract

A modular molecular kit for the preparation of crystalline molecular rotors was devised from a set of stators and rotators to gain simple access to a large number of structures with different dynamic performance and physical properties. In this work, we have accomplished this with crystalline molecular rotors self-assembled by halogen bonding of diazabicyclo[2.2.2]octane, acting as a rotator, and a set of five fluorine-substituted iodobenzenes that take the role of the stator. Using variableerature 1H T1 spin-lattice relaxation measurements, we have shown that all structures display ultrafast Brownian rotation with activation energies of 2.4-4.9 kcal/mol and pre-exponential factors of the order of (1-9) * 1012 s-1. Line shape analysis of quadrupolar echo 2H NMR measurements in selected examples indicated rotational trajectories consistent with the 3-fold or 6-fold symmetric potential of the rotator.
Original languageEnglish
Pages (from-to)15386-15389
JournalJournal of the American Chemical Society
Volume137
Issue number49
DOIs
Publication statusPublished - 2015
MoE publication typeA1 Journal article-refereed

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Catalano, L., Pérez-Estrada, S., Terraneo, G., Pilati, T., Resnati, G., Metrangolo, P., & Garcia-Garibay, M. (2015). Dynamic characterization of crystalline supramolecular rotors assembled through halogen bonding. Journal of the American Chemical Society, 137(49), 15386-15389. https://doi.org/10.1021/jacs.5b10776