From Overcrowded Polycyclic Aromatic Enes to Semifullerenes

  title={From Overcrowded Polycyclic Aromatic Enes to Semifullerenes},
  author={P Ulrich Biedermann and Tien-Yau Luh and David T.-C. Wengc and Chi-Hong Kuo and John J. Stezowski and Israel Agranat},
Abstract Overcrowded polycyclic aromatic enes (1), e.g., bi-9H-fluoren-9-ylidene (2) and bi-4H-cyclopenta[def]-phenanthren-4-ylidene (3) are potential starting materials for the preparation of bowl-shaped fragments of fullerenes. Semiempirical MNDO-PM3 calculations of C26 Hn and C30 Hn (n = 12,14,16) species 2–14 are used to analyze energetic and steric effects on the dehydrocyclization and isomerization reactions of these molecules. the out-of-plane bending and pyramidalization in these… CONTINUE READING