|
| << vorige |
Tijdschrift beschrijving
Alle jaargangen van het bijbehorende tijdschrift
Alle afleveringen van het bijbehorende jaargang
Alle artikelen van de bijbehorende aflevering
Details van artikel 15 van 15 gevonden artikelen
| Titel: |
Stone-Wales Rearrangement Pathways from the Hinge-Opened [2+2] C60 Dimer to Ipr C120 Fullerenes. Vibrational Analysis of Intermediates |
| Auteur: |
Ueno, Hiroshi O¯sawa, Shuichi O¯sawa, Eiji Takeuchi, Kazuo |
| Verschenen in: |
Fullerenes, nanotubes & carbon nanostructures |
| Paginering: | Jaargang 6 (1998) nr. 2 pagina's 319-338 |
| Jaar: |
1998-03-01 |
| Inhoud: |
Possibility of the previously proposed hinge-opened product 2 of [2+2] C60, dimer 1 transforming itself into IPR C120 fullerenes by a series of generalized Stone-Wales (GSW) rearrangements has been tested by seeking all topologically acceptable pathways with the help of a graphical search program. the first IPR isomer 4 appeared after 20 GSW steps from the wide-bridged dumb-bell shaped precursor 3. More than 1,000 C120 fullerene structures were generated during subsequent ten GSW steps, but the outstanding TdC120 global minimum 5 was not reached. Semiempirical vibrational calculations predict characteristic transition in the vibrational spectra in the course of rearrangement pathway. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 15 van 15 gevonden artikelen
| << vorige |