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)

Research output: Contribution to journalArticleScientificpeer-review

49 Citations (Scopus)

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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Iodobenzenes
Halogens
Fluorine
Stators
Rotors
Crystalline materials
Spin-lattice relaxation
Activation energy
Physical properties
Trajectories
Nuclear magnetic resonance
diazabicyclo(2.2.2)octane

Cite this

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
Catalano, L. ; Pérez-Estrada, S. ; Terraneo, G. ; Pilati, T. ; Resnati, G. ; Metrangolo, Pierangelo ; Garcia-Garibay, M. / Dynamic characterization of crystalline supramolecular rotors assembled through halogen bonding. In: Journal of the American Chemical Society. 2015 ; Vol. 137, No. 49. pp. 15386-15389.
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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, vol. 137, no. 49, pp. 15386-15389. https://doi.org/10.1021/jacs.5b10776

Dynamic characterization of crystalline supramolecular rotors assembled through halogen bonding. / Catalano, L.; Pérez-Estrada, S.; Terraneo, G. (Corresponding Author); Pilati, T.; Resnati, G.; Metrangolo, Pierangelo (Corresponding Author); Garcia-Garibay, M. (Corresponding Author).

In: Journal of the American Chemical Society, Vol. 137, No. 49, 2015, p. 15386-15389.

Research output: Contribution to journalArticleScientificpeer-review

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AU - Terraneo, G.

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AU - Metrangolo, Pierangelo

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AB - 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.

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