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Construction of polyhex and other tiled tori starting from square-like tori is presented. Leapfrog transformation of both linear and angular polyhex isomers is discussed and illustrated. Molecular mechanics and semi empirical calculations emphasize toranes (alkanes-like hydrocarbons)

In the title compound, [Zn(C(7)H(7)N(4)O(2))(2)(C(4)H(13)N(3))]·2H(2)O, the Zn(II) ion is penta-coordinated by three N atoms of the diethyl-enetriamine ligand and one N atom of each of the two theophyllinate anions in a distorted trigonal-bipyramidal geometry. The Zn-N distances range from 2.076 (3) to 2.221 (3) Å. The crystal packing is stabilized by… (More)

Density functional theory (DFT) studies predict the dianions CpCoB(n-1)H(n-1)(2-) (n = 9, 10, 11, 12; Cp = eta(5)-C(5)H(5)) to have structures based on the most spherical deltahedra found in the isoelectronic boranes B(n)H(n)(2-). In the CpCoB(8)H(8)(2-) dianion the non-equivalent structures with the cobalt atom at a degree 4 vertex and at a degree 5 vertex… (More)

Various cages are constructed by using three types of caps: f-cap (derived from spherical fullerenes by deleting zones of various size), kf-cap (obtainable by cutting off the polar ring, of size k), and t-cap ("tubercule"-cap). Building ways are presented, some of them being possible isomerization routes in the real chemistry of fullerenes. Periodic cages… (More)

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