# Spin State in Au Porphyrins Modulated by Charge Transfer on Au(111) https://mdr.nims.go.jp/datasets/8a3aeff7-9fc1-498c-8d47-e25bf08c1b4c ## File - [Li_JAmChemSoc148_2026_2.pdf](https://mdr.nims.go.jp/filesets/3dd3185e-4a82-4b09-af3b-81f7dff6f3a0/download) ([Detail](https://mdr.nims.go.jp/filesets/3dd3185e-4a82-4b09-af3b-81f7dff6f3a0.md)) - [ja5c21710_si_001.pdf](https://mdr.nims.go.jp/filesets/7fd0e343-6695-412d-9b6e-c87f0128196d/download) ([Detail](https://mdr.nims.go.jp/filesets/7fd0e343-6695-412d-9b6e-c87f0128196d.md)) ## Id 8a3aeff7-9fc1-498c-8d47-e25bf08c1b4c ## Local identifier ## Visibility open_to_public ## State published ## Created at 2026-04-09T02:53:31.995802Z ## Updated at 2026-04-09T06:00:14.229011Z ## Published at 2026-04-09T07:22:30.311596Z ## Doi ## First published url https://doi.org/10.1021/jacs.5c21710 ## Date published 2026-04-08 ## Recorded date published 2026-4-8 ## Resource type journal_article ## Manuscript type vor ## Collection ## Title - title: Spin State in Au Porphyrins Modulated by Charge Transfer on Au(111) title_type: original lang: en ## Description - description: Controlling spin states at the single-molecule level is a crucial step toward functional molecular spintronic devices. Au porphyrins, as efficient electron acceptors, are highly sensitive to charge transfer on surfaces and offer a promising route to investigate spin-state modulation in single-molecule magnets. Here, we report the synthesis of phenalenyl-expanded Au porphyrins via cyclodehydrogenation on Au(111). The atomic-scale structures, electronic properties, and spin states of the products were investigated in detail with a combination of noncontact atomic force microscopy, scanning tunneling microscopy, scanning tunneling spectroscopy, as well as density functional theory and multireference quantum chemistry calculations. Although the structures are nearly identical, the spin states of the porphyrins are significantly affected by the charge state of the Au complex. Our findings show that the role of the molecule–substrate interactions and the resulting charge transfer of the gold complex tune the spin and electronic properties of the extended porphyrins, establishing them as versatile molecular platforms for investigating charge-transfer-driven spin switches and guiding the design of molecular spintronic devices. description_type: abstract lang: und ## Creator - name: Donglin Li role: author orcid: https://orcid.org/0009-0001-6866-8715 organization: National Institute for Materials Science department: Center for Basic Research on Materials - name: Manish Kumar role: author orcid: https://orcid.org/0009-0005-7813-5209 organization: Institute of Physics, Academy of Sciences of the Czech Republic - name: Oleksandr Stetsovych role: author organization: Institute of Physics, Academy of Sciences of the Czech Republic - name: Benjamin Lowe role: author orcid: https://orcid.org/0000-0002-5157-7737 organization: Institute of Physics, Academy of Sciences of the Czech Republic, - name: Rima Sengupta role: author organization: Ritsumeikan University - name: Hironobu Hayashi role: author orcid: https://orcid.org/0000-0002-7872-3052 organization: National Institute for Materials Science department: Center for Basic Research on Materials - name: Hiromitsu Maeda role: author orcid: https://orcid.org/0000-0001-9928-1655 organization: Ritsumeikan University - name: Pavel Jelínek role: author orcid: https://orcid.org/0000-0002-5645-8542 organization: Institute of Physics, Academy of Sciences of the Czech Republic - name: Shigeki Kawai role: author orcid: https://orcid.org/0000-0003-2128-0120 organization: National Institute for Materials Science department: Center for Basic Research on Materials ## Contact agent ## Publisher organization: American Chemical Society (ACS) ## Managing organization ## Keyword - subject: scanning tunneling microscopy schema: not_defined - subject: noncontact atomic force microscopy schema: not_defined - subject: single-molecule spintronics schema: not_defined - subject: Au porphrins schema: not_defined - subject: spin-state modulation schema: not_defined - subject: molecule magnets schema: not_defined - subject: density functional theory schema: not_defined ## Rights - identifier: https://creativecommons.org/licenses/by/4.0/ ## Other identifier(s) ## Data origin - data_origin_type: other ## Embargo ## Journal - title: Journal of the American Chemical Society issn: '00027863' volume: '148' issue: '13' start_page: 13863 end_page: 13870 ## Conference ## Related item ## Funding - identifier: 24K21721 funder_name: Japan Society for the Promotion of Science - identifier: 24KF0269 funder_name: Japan Society for the Promotion of Science - identifier: 25H00422 funder_name: Japan Society for the Promotion of Science - identifier: JP20H05863 funder_name: Japan Society for the Promotion of Science - identifier: JP23K17951 funder_name: Japan Society for the Promotion of Science - identifier: JP23K23335 funder_name: Japan Society for the Promotion of Science - identifier: GACR25-17866X funder_name: MEYS CR(LM2023051) - identifier: Grant Agreement No. 101203634 funder_name: the European Union under the Marie Sklodowska-Curie Actions - identifier: CZ.02.01.01/00/22_008/0004594 funder_name: TERAFIT project ## Instrument ## Instrument operator ## Instrument managing organization ## Measurement method ## Specimen ## Chemical composition ## Structure for specimen ## Structural feature for specimen ## Specific property for specimen ## Process for specimen treatment ## Computational method ## Energy level/transition state ## Software ## Custom property ## Fileset - id: 3dd3185e-4a82-4b09-af3b-81f7dff6f3a0 filename: Li_JAmChemSoc148_2026_2.pdf content_type: application/pdf size: 5840642 md5: 2653865ef8044fbc493e813d765a55bc - id: 7fd0e343-6695-412d-9b6e-c87f0128196d filename: ja5c21710_si_001.pdf content_type: application/pdf size: 3885067 md5: d23a757d30f68c3a98d83588b9ea2de6 ## Thumbnail fileset_id: 3dd3185e-4a82-4b09-af3b-81f7dff6f3a0 filename: Li_JAmChemSoc148_2026_2.pdf