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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/129/07/0911-0917

    • Keywords

       

      [6]-Prismane; silabenzene; germanobenzene; benzene-capped fullerene.

    • Abstract

       

      Using the second-order Møller–Plesset perturbation (MP2) theoretic method and the cc-pVDZ basis set, it is shown that with an increase in the number of carbon atoms substituted by silicon, the [6]-prismane structure becomes increasingly more stable, relative to the two isolated benzene (like) structures. A similar trend is observed for germanium substituted prismanes as well. Extending this investigation, the stability of benzene-capped fullerene (C₆₀ fused with benzene) is also investigated.

    • Author Affiliations

       

      ASIF EQUBAL1 SHWETHA SRINIVASAN1 NARAYANASAMI SATHYAMURTHY1 2

      1. Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Mohali, Sector 81, SAS Nagar, Manauli, 140 306, India
      2. Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, 208 016, India
    • Dates

       
  • Journal of Chemical Sciences | News

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