Artículos de revistas
Stereochemical behavior of (1)J(CH) and (2)J(CH) NMR coupling constants in alpha-substituted acetamides
Registro en:
Journal Of Molecular Structure. Elsevier Science Bv, v. 891, n. 41699, n. 508, n. 513, 2008.
0022-2860
WOS:000261537800077
10.1016/j.molstruc.2008.04.040
Autor
Pedersoli, S
Tormena, CF
dos Santos, FP
Contreras, RH
Rittner, R
Institución
Resumen
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) A rationalization of the stereochemical behavior of (1)J(CH) and (2)J(CH) coupling constants, involving nuclei in the vicinity of a carbonyl group were carried out in fluoroacetamide (1), chloroacetamide (2), bromoacetamide (3) and cyanoacetamide (4). (1)J(CH) and (2)J(CH) 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. (C) 2008 Elsevier B.V. All rights reserved. 891 41699 508 513 Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) CONICET [PIP 5119/05] UBACYT [X222] Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) FAPESP [06/03980-2, 05/59649-0] CONICET [PIP 5119/05] UBACYT [X222]