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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


Puni tekst: engleski pdf 9.504 Kb

str. 463-470

preuzimanja: 1.457

citiraj


Sažetak

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.

Ključne riječi

polymantanes; diamondoids; tension; stress

Hrčak ID:

179634

URI

https://hrcak.srce.hr/179634

Datum izdavanja:

19.12.2016.

Posjeta: 1.964 *