Coronaphene, eine neue Gruppe cyclischer Kohlenwasserstoffe

Enumeration and classification of coronoid hydrocarbons

“…Furthermore, the skeleton of another coronoid has been isolated in the form of a dihydroderivative. 20 With regard to the enumeration of coronoids we refer to Knop et al8 The definition of "true" circulenes used by these researchers seems to coincide with our coronoid concept (see below). The authors8 have reported the existence of 1, 5, and 48 such systems for h (number of hexagons) = 8, 9, and 10, respectively.…”

A periodic table for polycyclic aromatic hydrocarbons. Isomer enumeration of fused polycyclic aromatic hydrocarbons. Part I

“…(3) <7 =<7i +<?p (4) <?p = <7 -<7i = 2A^h -6 for fused PAH's except circulenes <7p = 2A^h for monocirculenes only (5) ds=NPc-i (6) 2q = Zdi = Zda + Tda = 2Nn + 3(Nc-Nu) = 3Nc-NH (7) p3=<?i + 1 +ds=Nc -Nft=Npc +Nic (8) facesedges + vertexes = 2 (r + 1) -1j + p = 2 or r = q + 1 -Nc = (H2)(Nc + 2-Nli) (9) For the column of Table III starting with C10H8 (-ii>*3(r-! )^!t(r-j) limitNc/Npi = 10 + 3(r -2)…”

“…A procedure for determining whether a formula can be represented by a PAH6 is provided by Table IV. It is obvious from Table III that - 6 series, and thus any formula which has a composition such that Nc < 2Nh -6 cannot be a PAH6. Furthermore, the upper left triangular region in Table III is another domain of forbidden formulas for PAH6 that are determined by steps 2 and 3 in Table IV using the general formula for the diagonal members of Table III of C24+6(n+2"H|2+2B,.…”

Enumeration of Pentahexagonal Annuli in the Plane

“…Pentahexagonal annuli are molecular graphs of pentahexagonal corannulenes [21][22][23]. The last chemical term is borrowed from the theory of benzenoid hydrocarbons [4], where it was originally applied to 'simpler molecules' that contain only hexagons.…”