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|Title:||Conformational preferences of Ac-gly-nhme in solution|
|Author:||Cormanich, R. A.|
|Abstract:||The conformational behaviour of Ac-Gly-NHMe in nonpolar, polar and polar protic solutions was systematically studied in this work by theoretical calculations and experimental infrared and H-1 NMR spectroscopies. Ac-Gly-NHMe prefers a gauche conformer with a strong seven-membered intramolecular hydrogen bond for the isolated compound and in nonpolar solvents, but such preference changes in polar and polar protic solvents. Elucidation of Ac-Gly-NHMe preferences was also supported by studying the conformers of its CF3-C(O)-Gly-NHMe and Ac-Gly-N(Me)(2) derivatives in solution.|
|Subject:||Ligação de hidrogênio|
Funcionais de densidade
|Editor:||Royal Society of Chemistry|
|Appears in Collections:||IQ - Artigos e Outros Documentos|
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