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dc.contributor.authorAbe, Yuichiro
dc.contributor.authorSavikhin, Victoria
dc.contributor.authorYin, Jun
dc.contributor.authorGrimsdale, Andrew C.
dc.contributor.authorSoci, Cesare
dc.contributor.authorToney, Michael F.
dc.contributor.authorLam, Yeng Ming
dc.date.accessioned2017-08-21T06:28:05Z
dc.date.available2017-08-21T06:28:05Z
dc.date.issued2017-09-07
dc.identifier.citationAbe Y, Savikhin V, Yin J, Grimsdale AC, Soci C, et al. (2017) Unique Reversible Crystal-to-Crystal Phase Transition – Structural and Functional Properties of Fused Ladder Thienoarenes. Chemistry of Materials. Available: http://dx.doi.org/10.1021/acs.chemmater.7b01226.
dc.identifier.issn0897-4756
dc.identifier.issn1520-5002
dc.identifier.doi10.1021/acs.chemmater.7b01226
dc.identifier.urihttp://hdl.handle.net/10754/625369
dc.description.abstractDonor-acceptor type molecules based on fused ladder thienoarenes, indacenodithiophene (IDT) and dithienocyclopenta-thienothiophene (DTCTT), coupled with benzothiadiazole, are prepared and their solid-state structures are investigated. They display a rich variety of solid phases ranging from amorphous glass states to crystalline states, upon changes in the central aromatic core and side group structures. Most notably, the DTCTT-based derivatives showed reversible crystal-to-crystal phase transitions in heating and cooling cycles. Unlike what has been seen in π−conjugated molecules variable temperature XRD revealed that structural change occurs continuously during the transition. A columnar self-assembled structure with slip-stacked π−π interaction is proposed to be involved in the solid-state. This research provides the evidence of unique structural behavior of the DTCTT-based molecules through the detailed structural analysis. This unique structural transition paves the way for these materials to have self-healing of crystal defects, leading to improved optoelectronic properties.
dc.description.sponsorshipGI-WAXS measurement was undertaken on the use of the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. Additionally, we gratefully acknowledge Dr. Sandra Desvergne-Bléneau (Xenocs, Sassenage, France) who performed temperature variable SWAXS. We also gratefully acknowledge Dr. Bruno Donnadieu (Department of Chemistry, Faculty of Science at National University of Singapore) for his assistance of single-crystal XRD and Dr. Francesco Maddalena (School of Physical and Mathematical Sciences, Nanyang Technological University) for his thoughtful discussion and suggestions. Victoria Savikhin is supported by the Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program.
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acs.chemmater.7b01226
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.7b01226.
dc.titleUnique Reversible Crystal-to-Crystal Phase Transition – Structural and Functional Properties of Fused Ladder Thienoarenes
dc.typeArticle
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalChemistry of Materials
dc.eprint.versionPost-print
dc.contributor.institutionInterdisciplinary Graduate School, Nanyang Technological University, Singapore
dc.contributor.institutionSchool of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798
dc.contributor.institutionEnergy Research Institute at NTU (ERI@N), Nanyang Technological University, Singapore
dc.contributor.institutionSchool of Physical and Mathematical Sciences, Nanyang Technological University, Singapore
kaust.personSoci, Cesare
dc.relation.issupplementedbyDOI:10.5517/ccdc.csd.cc1mh3mv
refterms.dateFOA2018-08-15T00:00:00Z
display.relations<b>Is Supplemented By:</b><br/> <ul><li><i>[Dataset]</i> <br/> Abe, Y., Savikhin, V., Yin, J., Grimsdale, A. C., Soci, C., Toney, M. F., &amp; Lam, Y. M. (2017). <i>CCDC 1504077: Experimental Crystal Structure Determination</i> [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/CCDC.CSD.CC1MH3MV. DOI: <a href="https://doi.org/10.5517/ccdc.csd.cc1mh3mv" >10.5517/ccdc.csd.cc1mh3mv</a> Handle: <a href="http://hdl.handle.net/10754/663811" >10754/663811</a></a></li></ul>
dc.date.published-online2017-09-07
dc.date.published-print2017-09-26


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