Téléchargement | - Voir le manuscrit accepté : Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole (PDF, 1.2 Mio)
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DOI | Trouver le DOI : https://doi.org/10.1021/ja107252f |
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Auteur | Rechercher : Cozzolino, Anthony F.; Rechercher : Whitfield, Pamela S.1; Rechercher : Vargas-Baca, Ignacio |
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Affiliation | - Conseil national de recherches du Canada. Institut de technologie des procédés chimiques et de l'environnement du CNRC
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Format | Texte, Article |
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Résumé | The remarkable effect that secondary bonding interactions can have on the macroscopic properties of a material is illustrated by two polymorphs of the title compound. The phase which is most stable under ambient pressure and temperature consists of puckered supramolecular ribbon polymers assembled by Te--N secondary bonding interactions and displays a characteristic red-orange color. A second yellow phase consists of ribbons with alternating short and long intermolecular Te--N secondary bonding distances and is metastable; at 127 °C the material undergoes an exothermic irreversible transition to the red polymorph. A third phase consists of pyridine-solvated supramolecular dimers; it is also yellow and transforms into the red phase after the crystals effloresce. Computational DFT studies indicate that the observed changes in optical properties are related to intermolecular mixing of π orbitals enabled by the supramolecular interactions and the symmetry of the supramolecular synthon. |
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Date de publication | 2010-11-11 |
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Dans | |
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Langue | anglais |
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Publications évaluées par des pairs | Oui |
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Numéro du CNRC | NRCC 52228 |
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Numéro NPARC | 17719177 |
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Exporter la notice | Exporter en format RIS |
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Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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Identificateur de l’enregistrement | 735247ca-a186-4dd6-9405-44438e4104c3 |
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Enregistrement créé | 2011-05-18 |
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Enregistrement modifié | 2020-04-17 |
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