Energies for Cyclic and Acyclic Aggregations of Adamantane Sharing Six-membered Rings uri icon

abstract

  • Tension energies for acyclic and cyclic assemblies of adamantane units sharing hexagons of carbon atoms converge in a size-extensive manner for large numbers n of adamantane units. In most cases the convergence features diagrams of strain energy per adamantane unit E (n-1) versus n-2for cyclic aggregates and versus n-1 for acyclic aggregates having linear dependence with slopes of opposite signs. However, we found two exceptions which are discussed in the present paper, with convergence involving linear dependence with slopes of the same sign.

published proceedings

  • CROATICA CHEMICA ACTA

author list (cited authors)

  • Balaban, A. T., Ortiz, Y. P., Klein, D. J., & Bhattacharya, D.

citation count

  • 3

complete list of authors

  • Balaban, Alexandru T||Ortiz, Yenni P||Klein, Douglas J||Bhattacharya, Debojit

publication date

  • December 2016