Authors
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Niu, W. ; Fu, Y. ; Komber, H. ; Ma, J. ; Feng, X. ; Mai, Y. ; Liu, J.
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Title
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Sulfur-doped nanographenes containing multiple subhelicenes
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Date
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02.03.2021
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Number
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59188
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Abstract
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In this work, we describe the synthesis and characterization of three novel sulfur-doped nanographenes (NGs) (1–3) containing multiple subhelicenes, including carbo[4]helicenes, thieno[4]helicenes, carbo[5]helicenes, and thieno[5]helicenes. Density functional theory calculations reveal that the helicene substructures in 1–3 possess dihedral angles from 15° to 34°. The optical energy gaps of 1–3 are estimated to be 2.67, 2.45, and 2.30 eV, respectively. These three sulfur-doped NGs show enlarged energy gaps compared to those of their pristine carbon analogues.
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Publisher
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Optics Letters
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Wikidata
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Citation
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Optics Letters 23 (2021) 2069-2073
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DOI
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https://doi.org/10.1021/ACS.ORGLETT.1C00232
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Tags
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