Bistability between π -diradical open-shell and closed-shell states in indeno[1,2- a ]fluorene
Indenofluorenes are non-benzenoid conjugated hydrocarbons that have received great interest owing to their unusual electronic structure and potential applications in nonlinear optics and photovoltaics. Here we report the generation of unsubstituted indeno[1,2-a]fluorene on various surfaces by the cl...
| Main Authors: | , , , , , , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
Nature Research
2024
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| _version_ | 1811140095366922240 |
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| author | Mishra, S Vilas-Varela, M Lieske, L Ortiz, R Fatayer, S Rončević, I Albrecht, F Frederiksen, T Peña, D Gross, L |
| author_facet | Mishra, S Vilas-Varela, M Lieske, L Ortiz, R Fatayer, S Rončević, I Albrecht, F Frederiksen, T Peña, D Gross, L |
| author_sort | Mishra, S |
| collection | OXFORD |
| description | Indenofluorenes are non-benzenoid conjugated hydrocarbons that have received great interest owing to their unusual electronic structure and potential applications in nonlinear optics and photovoltaics. Here we report the generation of unsubstituted indeno[1,2-a]fluorene on various surfaces by the cleavage of two C–H bonds in 7,12-dihydroindeno[1,2-a]fluorene through voltage pulses applied by the tip of a combined scanning tunnelling microscope and atomic force microscope. On bilayer NaCl on Au(111), indeno[1,2-a]fluorene is in the neutral charge state, but it exhibits charge bistability between neutral and anionic states on the lower-workfunction surfaces of bilayer NaCl on Ag(111) and Cu(111). In the neutral state, indeno[1,2-a]fluorene exhibits one of two ground states: an open-shell π-diradical state, predicted to be a triplet by density functional and multireference many-body perturbation theory calculations, or a closed-shell state with a para-quinodimethane moiety in the as-indacene core. We observe switching between open- and closed-shell states of a single molecule by changing its adsorption site on NaCl. |
| first_indexed | 2024-09-25T04:16:32Z |
| format | Journal article |
| id | oxford-uuid:19b5fb12-8f35-420b-8aee-66eaf9dd047d |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-09-25T04:16:32Z |
| publishDate | 2024 |
| publisher | Nature Research |
| record_format | dspace |
| spelling | oxford-uuid:19b5fb12-8f35-420b-8aee-66eaf9dd047d2024-07-20T15:15:43ZBistability between π -diradical open-shell and closed-shell states in indeno[1,2- a ]fluoreneJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:19b5fb12-8f35-420b-8aee-66eaf9dd047dEnglishJisc Publications RouterNature Research2024Mishra, SVilas-Varela, MLieske, LOrtiz, RFatayer, SRončević, IAlbrecht, FFrederiksen, TPeña, DGross, LIndenofluorenes are non-benzenoid conjugated hydrocarbons that have received great interest owing to their unusual electronic structure and potential applications in nonlinear optics and photovoltaics. Here we report the generation of unsubstituted indeno[1,2-a]fluorene on various surfaces by the cleavage of two C–H bonds in 7,12-dihydroindeno[1,2-a]fluorene through voltage pulses applied by the tip of a combined scanning tunnelling microscope and atomic force microscope. On bilayer NaCl on Au(111), indeno[1,2-a]fluorene is in the neutral charge state, but it exhibits charge bistability between neutral and anionic states on the lower-workfunction surfaces of bilayer NaCl on Ag(111) and Cu(111). In the neutral state, indeno[1,2-a]fluorene exhibits one of two ground states: an open-shell π-diradical state, predicted to be a triplet by density functional and multireference many-body perturbation theory calculations, or a closed-shell state with a para-quinodimethane moiety in the as-indacene core. We observe switching between open- and closed-shell states of a single molecule by changing its adsorption site on NaCl. |
| spellingShingle | Mishra, S Vilas-Varela, M Lieske, L Ortiz, R Fatayer, S Rončević, I Albrecht, F Frederiksen, T Peña, D Gross, L Bistability between π -diradical open-shell and closed-shell states in indeno[1,2- a ]fluorene |
| title | Bistability between π -diradical open-shell and closed-shell states in indeno[1,2- a ]fluorene |
| title_full | Bistability between π -diradical open-shell and closed-shell states in indeno[1,2- a ]fluorene |
| title_fullStr | Bistability between π -diradical open-shell and closed-shell states in indeno[1,2- a ]fluorene |
| title_full_unstemmed | Bistability between π -diradical open-shell and closed-shell states in indeno[1,2- a ]fluorene |
| title_short | Bistability between π -diradical open-shell and closed-shell states in indeno[1,2- a ]fluorene |
| title_sort | bistability between π diradical open shell and closed shell states in indeno 1 2 a fluorene |
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