| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1412019 | Journal of Molecular Structure | 2006 | 13 Pages |
Abstract
Vibrational spectra revealed that in polar solutions E-DAAPN exists as two conformers with Z or E orientation of acetyl group, the Z conformer being about 2.2±0.3 kJ molâ1 more stable than the E one. The influence of environment polarity on this conformational equilibrium is discussed with respect to the SCRF solvent effect calculations using IPCM and PCM models.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
J. Polovková, A. Gatial, V. Milata, P. Äernuchová, N. Prónayová, T. Liptaj, P. MatÄjka,