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Details for article 104 of 124 found articles
| Title: |
Structural Proposals for C70H36 |
| Author: |
Fowler, P. W. Sandall, J. P. B. Austin, S. J. |
| Appeared in: |
Fullerenes, nanotubes & carbon nanostructures |
| Paging: | Volume 4 (1996) nr. 3 pages 369-384 |
| Year: |
1996-05-01 |
| Contents: |
Calculations are performed on optimal geometries and relative stabilities of 48 new candidates for the structure of the experimentally identified but as yet uncharacterised C70H36 molecule. Three structures with entirely unconjugated π systems, which differ only in the siting of the double bond in each polar pentagon, are more stable than all others by ~ 45 kJ mol-1 in the MNDO model. Localisation alone does not ensure stability, but the low strain of this particular arrangement apparently outweighs the total loss of π delocalisation energy. |
| Publisher: |
Taylor & Francis |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 104 of 124 found articles
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