The odd-number cyclo[13]carbon and its dimer, cyclo[26]carbon

Molecular rings of carbon atoms (cyclo[ ]carbons, or C ) are excellent benchmarking systems for testing quantum chemical theoretical methods and valuable precursors to other carbon-rich materials. Odd- cyclocarbons, which have been elusive to date, are predicted to be even less stable than even- cyc...

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Bibliographic Details
Published in:Science (American Association for the Advancement of Science) 2024-05, Vol.384 (6696), p.677-682
Main Authors: Albrecht, Florian, Rončević, Igor, Gao, Yueze, Paschke, Fabian, Baiardi, Alberto, Tavernelli, Ivano, Mishra, Shantanu, Anderson, Harry L, Gross, Leo
Format: Article
Language:English
Subjects:
Carbon
Carbon cycle
Chlorine
Voltage pulses
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Summary:Molecular rings of carbon atoms (cyclo[ ]carbons, or C ) are excellent benchmarking systems for testing quantum chemical theoretical methods and valuable precursors to other carbon-rich materials. Odd- cyclocarbons, which have been elusive to date, are predicted to be even less stable than even- cyclocarbons. We report the on-surface synthesis of cyclo[13]carbon, C , by manipulation of decachlorofluorene with a scanning probe microscope tip. We elucidated the properties of C by experiment and theoretical modeling. C adopts an open-shell configuration with a triplet ground state and a kinked geometry, which shows different extents of distortion and carbene localization depending on the molecular environment. Moreover, we prepared and characterized the C dimer, cyclo[26]carbon, demonstrating the potential of cyclocarbons and their precursors as building blocks for carbon allotropes.
ISSN:0036-8075
1095-9203
DOI:10.1126/science.ado1399