Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/137682
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dc.contributor.authorJiang, Huien_US
dc.contributor.authorHu, Pengen_US
dc.contributor.authorYe, Junen_US
dc.contributor.authorChaturvedi, Apoorvaen_US
dc.contributor.authorZhang, Keke K.en_US
dc.contributor.authorLi, Yongxinen_US
dc.contributor.authorLong, Yien_US
dc.contributor.authorFichou, Denisen_US
dc.contributor.authorKloc, Christianen_US
dc.contributor.authorHu, Wenpingen_US
dc.date.accessioned2020-04-08T05:03:14Z-
dc.date.available2020-04-08T05:03:14Z-
dc.date.issued2018-
dc.identifier.citationJiang, H., Hu, P., Ye, J., Chaturvedi, A., Zhang, K. K., Li, Y., . . . Hu, W. (2018). From linear to angular isomers : achieving tunable charge transport in single‐crystal indolocarbazoles through delicate synergetic CH/NH⋅⋅⋅π interactions. Angewandte Chemie International Edition, 57(29), 8875-8880. doi:10.1002/anie.201713288en_US
dc.identifier.issn1433-7851en_US
dc.identifier.urihttps://hdl.handle.net/10356/137682-
dc.description.abstractWeak intermolecular interaction in organic semiconducting molecular crystals plays an important role in molecular packing and electronic properties. Here, four five‐ring‐fused isomers were rationally designed and synthesized to investigate the isomeric influence of linear and angular shapes in affecting their molecular packing and resultant electronic properties. Single‐crystal field‐effect transistors showed mobility order of 5,7‐ICZ (3.61 cm2 V−1 s−1) >5,11‐ICZ (0.55 cm2 V−1 s−1) >11,12‐ICZ (ca. 10−5 cm2 V−1 s−1) and 5,12‐ICZ (ca. 10−6 cm2 V−1 s−1). Theoretical calculations based on density functional theory (DFT) and polaron transport model revealed that 5,7‐ICZ can reach higher mobilities than the others thanks to relatively higher hole transfer integral that links to stronger intermolecular interaction due to the presence of multiple NH⋅⋅⋅π and CH⋅⋅⋅π(py) interactions with energy close to common NH⋅⋅⋅N hydrogen bonds, as well as overall lower hole‐vibrational coupling owing to the absence of coupling of holes to low frequency modes due to better π conjugation.en_US
dc.description.sponsorshipNRF (Natl Research Foundation, S’pore)en_US
dc.description.sponsorshipMOE (Min. of Education, S’pore)en_US
dc.language.isoenen_US
dc.relation.ispartofAngewandte Chemie International Editionen_US
dc.rights© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. All rights reserved.en_US
dc.subjectEngineering::Materialsen_US
dc.titleFrom linear to angular isomers : achieving tunable charge transport in single‐crystal indolocarbazoles through delicate synergetic CH/NH⋅⋅⋅π interactionsen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science & Engineeringen_US
dc.contributor.schoolSchool of Physical and Mathematical Sciencesen_US
dc.identifier.doi10.1002/anie.201713288-
dc.identifier.pmid29457325-
dc.identifier.scopus2-s2.0-85044246620-
dc.identifier.issue29en_US
dc.identifier.volume57en_US
dc.identifier.spage8875en_US
dc.identifier.epage8880en_US
dc.subject.keywordsIntermolecular Interactionsen_US
dc.subject.keywordsElectron and Hole Mobilityen_US
item.fulltextNo Fulltext-
item.grantfulltextnone-
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