| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383734 | Chemical Physics Letters | 2011 | 9 Pages |
Abstract
⺠Ab initio/RRKM calculations reveal the mechanism of the C2H + 1,2-butadiene reaction. ⺠Reaction is predicted to be barrierless and to form C6H6 + H and C5H4 + CH3 products. ⺠2-Ethynyl-1,3-butadiene + H are calculated as the dominant products (91-84%). ⺠Penta-1,4-diyne + CH3 (7-12%) and ethynylallene + CH3 (2-3%) are minor products.
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Authors
Adeel Jamal, Alexander M. Mebel,