| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1411618 | Journal of Molecular Structure | 2009 | 9 Pages |
Abstract
Harmonic vibrational frequencies of this stable hydrazo form and its deuterated analog were also calculated and compared with the experimental data. According to the theoretical calculations, the intramolecularly hydrogen bonded proton in the most stable tautomer moves in an asymmetric double minimum potential with a hydrogen bond stronger than that of 4-amino-3-penten-2-one (APO). The calculated O· · ·N distance for the most stable conformer of PAPD is about 0.07-0.08 Ǻ shorter than that of APO.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Sayyed Faramarz Tayyari, Robert Erik Sammelson, Fariba Tayyari, Hedayat Rahemi, Maryam Ebrahimi,