Supramolecular Chromotropism of the Crystalline Phases of 4,5,6,7-Tetrafluorobenzo-2,1,3-telluradiazole

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DOIResolve DOI: http://doi.org/10.1021/ja107252f
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TypeArticle
Journal titleJournal of the American Chemical Society
Volume132
Issue48
Pages1726517270; # of pages: 6
AbstractThe 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.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada; NRC Institute for Chemical Process and Environmental Technology
Peer reviewedYes
NRC number52228
NPARC number17719177
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Record identifier735247ca-a186-4dd6-9405-44438e4104c3
Record created2011-05-18
Record modified2016-05-09
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