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Angewandte Chemie. international edition v.57 no.29, 2018년, pp.8875 - 8880   SCI SCIE
본 등재정보는 저널의 등재정보를 참고하여 보여주는 베타서비스로 정확한 논문의 등재여부는 등재기관에 확인하시기 바랍니다.

From Linear to Angular Isomers: Achieving Tunable Charge Transport in Single‐Crystal Indolocarbazoles Through Delicate Synergetic CH/NH⋅⋅⋅π Interactions

Jiang, Hui (School of Materials Science and Engineering, Nanyang Technological University, 639798 Singapore, Singapore ) ; Hu, Peng (School of Materials Science and Engineering, Nanyang Technological University, 639798 Singapore, Singapore ) ; Ye, Jun (Institute of High Performance Computing, Agency for Science, Technology and Research, 138632 Singapore, Singapore ) ; Chaturvedi, Apoorva (School of Materials Science and Engineering, Nanyang Technological University, 639798 Singapore, Singapore ) ; Zhang, Keke K. (School of Materials Science and Engineering, Nanyang Technological University, 639798 Singapore, Singapore ) ; Li, Yongxin (School of Physical and Mathematical Sciences, Nanyang Technological University, 637371 Singapore, Singapore ) ; Long, Yi (School of Materials Science and Engineering, Nanyang Technological University, 639798 Singapore, Singapore<cou ) ; Fichou, Denis ; Kloc, Christian ; Hu, Wenping ;
  • 초록  

    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 cm 2 V −1 s −1 ) >5,11‐ICZ (0.55 cm 2 V −1 s −1 ) >11,12‐ICZ (ca. 10 −5 cm 2 V −1 s −1 ) and 5,12‐ICZ (ca. 10 −6 cm 2 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.


  • 주제어

    intermolecular interactions .   electron and hole mobility .   organic field-effect transistors .   organic single crystals .   structure–property relationship.  

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