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.
| Identifer | oai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:74463 |
| Date | 13 May 2022 |
| Creators | Niu, Wenhui, Fu, Yubin, Komber, Hartmut, Ma, Ji, Feng, Xinliang, Mai, Yiyong, Liu, Junzhi |
| Publisher | ACS Publications |
| Source Sets | Hochschulschriftenserver (HSSS) der SLUB Dresden |
| Language | English |
| Detected Language | English |
| Type | info:eu-repo/semantics/acceptedVersion, doc-type:article, info:eu-repo/semantics/article, doc-type:Text |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | 1523-7052, 10.1021/acs.orglett.1c00232, info:eu-repo/grantAgreement/European Commission/H2020 | SGA-RIA/881603//Graphene Flagship Core Project 3/GrapheneCore3, info:eu-repo/grantAgreement/European Commission/H2020 | MSCA-ITN-ETN/813036//Bottom-Up generation of atomicalLy precise syntheTIc 2D MATerials for high performance in energy and Electronic applications – A multi-site innovative training action/ULTIMATE, info:eu-repo/grantAgreement/European Commission/H2020 | ERC | ERC-COG/819698//Development of Thiophene Based Conjugated Polymers in Two Dimensions/T2DCP |
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