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<p>Synthesizing carbon nanobelts (CNBs) with more delocalized electronic structures and enhanced <i>π</i>-conjugation remains challenging yet fundamentally important. Here we address this challenge and present the synthesis and characterization of fully <i>π</i>-conjugated, pentagon-embedded non-alternant CNBs. The nanobelts are meticulously designed with optimal strain and reactive site protection. The compounds are synthesized using an iterative Diels–Alder reaction followed by deoxygenative aromatization. Compared with all-benzenoid alternant CNBs, these CNBs exhibit smaller band gaps, stronger red emission and more effective <i>π</i>-conjugation owing to the incorporation of non-alternant moieties. Notably, one of the CNBs can be oxidized into its dication with an open-shell singlet ground state. Additionally, theoretical calculations indicate that the dication exhibits global aromaticity, characterized by two weakly coupled [32]annulenes with Baird-type aromaticity along its edges. This work opens avenues for synthesizing complex carbon nanostructures with enhanced electronic properties.</p><p></p>

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Synthesis of fully π-conjugated non-alternant carbon nanobelts

  • 期刊论文

  • 发表日期：

    2025年5月16日

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  • Yi Han,
  • Shaofei Wu,
  • Koon Yong Shawn Khoo,
  • Chunyan Chi

摘要

Synthesizing carbon nanobelts (CNBs) with more delocalized electronic structures and enhanced π-conjugation remains challenging yet fundamentally important. Here we address this challenge and present the synthesis and characterization of fully π-conjugated, pentagon-embedded non-alternant CNBs. The nanobelts are meticulously designed with optimal strain and reactive site protection. The compounds are synthesized using an iterative Diels–Alder reaction followed by deoxygenative aromatization. Compared with all-benzenoid alternant CNBs, these CNBs exhibit smaller band gaps, stronger red emission and more effective π-conjugation owing to the incorporation of non-alternant moieties. Notably, one of the CNBs can be oxidized into its dication with an open-shell singlet ground state. Additionally, theoretical calculations indicate that the dication exhibits global aromaticity, characterized by two weakly coupled [32]annulenes with Baird-type aromaticity along its edges. This work opens avenues for synthesizing complex carbon nanostructures with enhanced electronic properties.