| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382456 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
⺠The geometry of acrolein does not correspond to expected one. ⺠Besides Ï-Ï conjugation n â Ïâ hyperconjugation is observed in acrolein. ⺠Ï-Ï conjugative and n â Ïâ hyperconjugative interactions have close energy. ⺠Ï-Ï and n â Ïâ influence on the Csp2-Csp2 bond length in opposite directions. ⺠The Csp2-Csp2 bond length correlates with the difference between two interactions.
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Authors
Svitlana V. Shishkina, Anzhelika I. Slabko, Oleg V. Shishkin,