Articles written in Journal of Chemical Sciences
Volume 129 Issue 7 July 2017 pp 911-917 REGULAR ARTICLE
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 -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.