| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1410651 | Journal of Molecular Structure | 2008 | 6 Pages |
Abstract
A rationalization of the stereochemical behavior of 1JCH and 2JCH coupling constants, involving nuclei in the vicinity of a carbonyl group were carried out in fluoroacetamide (1), chloroacetamide (2), bromoacetamide (3) and cyanoacetamide (4). 1JCH and 2JCH experimental and theoretically calculated coupling constant together with a qualitative analyses of hyperconjugative interactions through NBO data, showed that observed behavior is mainly due to the hyperconjugative interactions and electrostatic effects.
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Authors
Susimaire Pedersoli, Cláudio F. Tormena, Francisco P. dos Santos, Rubén H. Contreras, Roberto Rittner,