Synthesis and characterization of [7]triangulene

Mishra, Shantanu; Xu, Kun; Eimre, Kristjan; Komber, Hartmut; Ma, Ji; Pignedoli, Carlo A.; Fasel, Roman; Feng, Xinliang; Ruffieux, Pascal (2021). Synthesis and characterization of [7]triangulene. Nanoscale, 13(3), pp. 1624-1628. Royal Society of Chemistry 10.1039/D0NR08181G

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Triangulene and its π-extended homologues constitute non-Kekulé polyradical frameworks with high-spin ground states, and are anticipated to be key components of organic spintronic devices. We report a combined in-solution and on-surface synthesis of the hitherto largest triangulene homologue, [7]triangulene (C78H24), consisting of twenty-eight benzenoid rings fused in a triangular fashion. We employ low-temperature scanning tunneling microscopy to confirm the chemical structure of individual molecules adsorbed on a Cu(111) surface. While neutral [7]triangulene in the gas phase is predicted to have an open-shell septet ground state; our scanning tunneling spectroscopy measurements, in combination with density functional theory calculations, reveal chemisorption of [7]triangulene on Cu(111) together with considerable charge transfer, resulting in a closed-shell state. Furthermore, substantial hybridization between the molecular orbitals of [7]triangulene is observed.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP)

UniBE Contributor:

Fasel, Roman

Subjects:

500 Science > 530 Physics
500 Science > 540 Chemistry

ISSN:

2040-3364

Publisher:

Royal Society of Chemistry

Language:

English

Submitter:

Roman Fasel

Date Deposited:

15 Feb 2022 10:42

Last Modified:

05 Dec 2022 16:05

Publisher DOI:

10.1039/D0NR08181G

PubMed ID:

33443270

BORIS DOI:

10.48350/164866

URI:

https://boris.unibe.ch/id/eprint/164866

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