Carbenes Embedded in Cyclic Paraphenylenes: Detection, Ground State Spin-multiplicity, and Möbius Topology

06 May 2025, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Carbenes, which are divalent carbon species, have attracted significant research interest due to their ability to form two new bonds, as well as their potential applications as ligands in catalysis and in the development of magnetic materials. In this study, we generated carbenes embedded within the unique curved π-conjugated cycloparaphenylenes and discovered that the diarylcarbenes composed solely of carbon and hydrogen atoms possess a singlet ground state. The hooped and twisted structure exhibited a Möbius topology.

Keywords

Carbene
Cyclic Paraphenylenes
Möbius Topology

Supplementary materials

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Title
Carbenes Embedded in Cyclic Paraphenylenes: Detection, Ground State Spin-multiplicity, and Möbius Topology
Description
Carbenes, which are divalent carbon species, have attracted significant research interest due to their ability to form two new bonds, as well as their po-tential applications as ligands in catalysis and in the development of magnetic materials. In this study, we generated carbenes embedded within the unique curved π-conjugated cycloparaphenylenes and dis-covered that the diarylcarbenes composed solely of carbon and hydrogen atoms possess a singlet ground state. The hooped and twisted structure ex-hibited a Möbius topology.
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