Abstract
Isomerization of aromatic compounds plays an important role in the formation of flame-synthesized fullerenes, nanotubes, and in the growth of soot during combustion. Another model annealing reaction was the isomerization of azulene to naphthalene. Using DFT calculations, that rearrangements of 5.6-rings and 5.7-rings in simple compounds that are designed to model more complex rearrangements in fullerenes had barriers that are significantly lowered by the addition of an H-atom to the rearranging framework. Since H atoms existed in high concentrations in flame environments, this represented a possible low energy catalytic pathway for the SW and related rearrangements in fullerenes. This is an abstract of a paper presented at the 227th ACS National Meeting (Anaheim, CA 3/28/2004-4/1/2004).
Original language | American English |
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Pages | 445-446 |
Number of pages | 2 |
State | Published - 2004 |
Event | 227th ACS National Meeting - Anaheim, California Duration: 28 Mar 2004 → 1 Apr 2004 |
Conference
Conference | 227th ACS National Meeting |
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City | Anaheim, California |
Period | 28/03/04 → 1/04/04 |
NREL Publication Number
- NREL/CP-510-35413