Croatica Chemica Acta, Vol. 89 No. 4, 2016.
Original scientific paper
https://doi.org/10.5562/cca3055
Energies for Cyclic and Acyclic Aggregations of Adamantane Sharing Six-membered Rings
Alexandru T. Balaban
; Texas A&M University at Galveston, 200 Seawolf Parkway, Galveston, TX 77553, USA
Yenni P. Ortiz
; Texas A&M University at Galveston, 200 Seawolf Parkway, Galveston, TX 77553, USA
Douglas J. Klein
; Texas A&M University at Galveston, 200 Seawolf Parkway, Galveston, TX 77553, USA
Debojit Bhattacharya
; Texas A&M University at Galveston, 200 Seawolf Parkway, Galveston, TX 77553, USA
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–2 for 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.
This work is licensed under a Creative Commons Attribution 4.0 International License.
Keywords
polymantanes; diamondoids; tension; stress
Hrčak ID:
179634
URI
Publication date:
19.12.2016.
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