Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/137682
Title: From linear to angular isomers : achieving tunable charge transport in single‐crystal indolocarbazoles through delicate synergetic CH/NH⋅⋅⋅π interactions
Authors: Jiang, Hui
Hu, Peng
Ye, Jun
Chaturvedi, Apoorva
Zhang, Keke K.
Li, Yongxin
Long, Yi
Fichou, Denis
Kloc, Christian
Hu, Wenping
Keywords: Engineering::Materials
Issue Date: 2018
Source: Jiang, 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.201713288
Journal: Angewandte Chemie International Edition
Abstract: Weak 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.
URI: https://hdl.handle.net/10356/137682
ISSN: 1433-7851
DOI: 10.1002/anie.201713288
Rights: © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. All rights reserved.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:MSE Journal Articles

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