On the morphology of a discotic liquid crystalline charge transfer complex

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dc.contributor.authorHaverkate, LAen_AU
dc.contributor.authorZbiri, Men_AU
dc.contributor.authorJohnson, MRen_AU
dc.contributor.authorDeme, Ben_AU
dc.contributor.authorde Groot, HJMen_AU
dc.contributor.authorLefeber, Fen_AU
dc.contributor.authorKotlewski, Aen_AU
dc.contributor.authorPicken, SJen_AU
dc.contributor.authorMulder, FMen_AU
dc.contributor.authorKearley, GJen_AU
dc.date.accessioned2014-04-11T02:08:33Zen_AU
dc.date.available2014-04-11T02:08:33Zen_AU
dc.date.issued2012-10-01en_AU
dc.date.statistics2014-04-11en_AU
dc.description.abstractDiscotic liquid crystalline (DLC) charge transfer (CT) complexes, which combine visible light absorption with rapid charge transfer characteristics within the CT complex, can have a great potential for photovoltaic applications when they can be made to self-assemble in a bulk heterojunction arrangement with separate channels for electron and hole conduction. However, the morphology of some liquid crystalline CT complexes has been under debate for many years. In particular, the liquid crystalline CT complex built from the electron acceptor 2,4,7-trinitro-9-fluorenone (TNF) and discotic molecules has been reported to have the TNF "sandwiched" either between the discotic molecules within the same column or between the columns within the aliphatic tails of the discotic molecules. We present a detailed structural study of the prototypic 1:1 mixture of the discotic 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene (HAT6) and TNF. Nuclear magnetic resonance (NMR) line widths and cross-polarization rates are consistent with the picosecond time scale anisotropic thermal motions of the HAT6 and TNF molecules previously observed. By computational integration of Rietveld refinement analyses of neutron diffraction patterns with density experiments and short-range structural constraints from heteronuclear 2D NMR, we determine that the TNF molecules are vertically oriented between HAT6 columns. The data provide the insight that a morphology of separate hole conducting channels of HAT6 molecules can be realized in the liquid crystalline CT complex. © 2012, American Chemical Society.en_AU
dc.identifier.citationHaverkate, L. A., Zbiri, M., Johnson, M. R., Deme, B., de Groot, H. J. M., Lefeber, F., Kotlewski, A., Picken, S. J., Mulder, F. M., & Kearley, G. J. (2012). On the morphology of a discotic liquid crystalline charge transfer complex. Journal of Physical Chemistry B, 116(43), 13098-13105. doi:10.1021/jp306412uen_AU
dc.identifier.govdoc4764en_AU
dc.identifier.issn1520-6106en_AU
dc.identifier.issue43en_AU
dc.identifier.journaltitleJournal of Physical Chemistry Ben_AU
dc.identifier.pagination13098-13105en_AU
dc.identifier.urihttp://dx.doi.org/10.1021/jp306412uen_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/5418en_AU
dc.identifier.volume116en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectSolar cellsen_AU
dc.subjectNuclear magnetic resonanceen_AU
dc.subjectSpectroscopyen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectMorphologyen_AU
dc.subjectDynamicsen_AU
dc.titleOn the morphology of a discotic liquid crystalline charge transfer complexen_AU
dc.typeJournal Articleen_AU
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