Title of article
Stereochemical behavior of 1JCH and 2JCH NMR coupling constants in α-substituted acetamides
Author/Authors
Pedersoli، نويسنده , , Susimaire and Tormena، نويسنده , , Clلudio F. and dos Santos، نويسنده , , Francisco P. and Contreras، نويسنده , , Rubén H. and Rittner، نويسنده , , Roberto، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
6
From page
508
To page
513
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.
Keywords
Stereochemical behavior , Hyperconjugative interactions , 1JCH and 2JCH coupling constants , ?-Substituted acetamides
Journal title
Journal of Molecular Structure
Serial Year
2008
Journal title
Journal of Molecular Structure
Record number
1965697
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