Skeletal editing by tip-induced chemistry
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arXiv
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866914165220704256 |
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| author | Mishra, Shantanu Malave, Valentina Svensson, Rasmus Grönbeck, Henrik Albrecht, Florian Peña, Diego Gross, Leo |
| author_facet | Mishra, Shantanu Malave, Valentina Svensson, Rasmus Grönbeck, Henrik Albrecht, Florian Peña, Diego Gross, Leo |
| contents | Skeletal editing of cyclic molecules has garnered considerable attention in the context of drug discovery and green chemistry, with notable examples in solution-phase synthesis. Here, we extend the scope of skeletal editing to the single-molecule scale. We demonstrate tip-induced oxygen deletion and ring contraction of an oxygen-containing seven-membered ring on bilayer NaCl films to generate molecules containing the perylene skeleton. The products were identified and characterized by atomic force and scanning tunneling microscopies, which provided access to bond-resolved molecular structures and orbital densities. Insights into the reaction mechanisms were obtained by density functional theory calculations. Our work expands the toolbox of tip-induced chemistry for single-molecule synthesis. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_12433 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Skeletal editing by tip-induced chemistry Mishra, Shantanu Malave, Valentina Svensson, Rasmus Grönbeck, Henrik Albrecht, Florian Peña, Diego Gross, Leo Mesoscale and Nanoscale Physics Skeletal editing of cyclic molecules has garnered considerable attention in the context of drug discovery and green chemistry, with notable examples in solution-phase synthesis. Here, we extend the scope of skeletal editing to the single-molecule scale. We demonstrate tip-induced oxygen deletion and ring contraction of an oxygen-containing seven-membered ring on bilayer NaCl films to generate molecules containing the perylene skeleton. The products were identified and characterized by atomic force and scanning tunneling microscopies, which provided access to bond-resolved molecular structures and orbital densities. Insights into the reaction mechanisms were obtained by density functional theory calculations. Our work expands the toolbox of tip-induced chemistry for single-molecule synthesis. |
| title | Skeletal editing by tip-induced chemistry |
| topic | Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2509.12433 |