| Download | - View accepted manuscript: Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole (PDF, 1.2 MiB)
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| DOI | Resolve DOI: https://doi.org/10.1021/ja107252f |
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| Author | Search for: Cozzolino, Anthony F.; Search for: Whitfield, Pamela S.1; Search for: Vargas-Baca, Ignacio |
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| Affiliation | - National Research Council of Canada. NRC Institute for Chemical Process and Environmental Technology
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| Format | Text, Article |
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| Abstract | 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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| Publication date | 2010-11-11 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NRC number | NRCC 52228 |
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| NPARC number | 17719177 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 735247ca-a186-4dd6-9405-44438e4104c3 |
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| Record created | 2011-05-18 |
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| Record modified | 2020-04-17 |
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