Crystallographic Characterization of the Molecular Structure and Solid State Packing of the Fullerene-Shaped Hydrocarbon C₃₆H₁₂

Reactivity and Selectivity of Bowl‐Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60

“…At this point, we want to point out that the degree of pyramidalization should be used with caution to rationalize the reactivity of these PAHs. For instance, the experimental (X-ray crystallography) derived average POAV angles follow the trend: 8.3º (1), [38] 9.6 (2), [7] 9.0º (3), [39] 10.7º (4), [40] 12.1º (5) [41] and 11.6 º (C 60 ), [3] which indicates that cyclopentacorannulene 2 and circumtrindene 5…”

Bowl-shaped hydrocarbons related to C60

“…with the X-ray values, 13 as are those obtained from MM3. 14 The pattern of bond lengths is consistent with the Kekule structure given in Figure 4, wheré all double bonds are exocyclic to the five-membered rings.…”

“…To increase our understanding of these fragments, buckybowls 1 and 2 are investigated by means of ab initio calculation to obtain estimates of heats of formation and NMR chemical shifts; the latter permit assignment of the observed spectra. It is found that the 13 C chemical shifts increase with the extent of carbon pyramidalization.…”

Nitrogen‐doped Graphitic Carbon Synthesized by Laser Annealing of Sumanenemonoone Imine as a Bowl‐shaped π‐Conjugated Molecule

“…[50] Bowl-shaped compounds (hereinafter called by "p bowls"), [51] which belong to nonplanar p-conjugated compounds, have also attracted significant interest. [52][53][54][55] p Bowls are represented as partial structures of fullerene, including sumanene (1, C 21 H 12 , Figure 1 b), [56] corannulene (C 20 H 10 ), [57] and so on. There have been limited studies on p bowls as compared to those on fullerenes and carbon nanotubes.…”