ملخص: The structures, energies and conformations of N:Methylene Formamide (NMF) and substituted NMF have been studied at the HF, MP2 and DFT/(B3LYP, B3PW91) theoretical level using 6:31G* and 6:311G* bases.The NMF is gauche in its stable conformation. When the hydrogen carried by the imidic carbon is substituted by :OH (N:Hydoxy Methylene Formamide: NHMF) the planarity of CN:CO is restored, the formation of one inter:molecular hydrogen bond would stabilize this conformer. The substitution of hydrogen by :OCH3 (N:Methoxy Methylene Formamide, NMMF) carries a gauche structure more stable than NMF.

لغة: فرنسية