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.

Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding / Catalano, L.; Perez-Estrada, S.; Terraneo, G.; Pilati, T.; Resnati, G.; Metrangolo, P.; Garcia-Garibay, M. A.. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - 137:49(2015), pp. 15386-15389. [10.1021/jacs.5b10776]

Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding

Catalano L.;
2015

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.
2015
137
49
15386
15389
Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding / Catalano, L.; Perez-Estrada, S.; Terraneo, G.; Pilati, T.; Resnati, G.; Metrangolo, P.; Garcia-Garibay, M. A.. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - 137:49(2015), pp. 15386-15389. [10.1021/jacs.5b10776]
Catalano, L.; Perez-Estrada, S.; Terraneo, G.; Pilati, T.; Resnati, G.; Metrangolo, P.; Garcia-Garibay, M. A.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1329271
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