کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5419166 1506998 2006 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Hartree-Fock, Post Hartree-Fock and density functional theory studies on structure and conformational stability of N-Methylen-Formamide (NMF) and substituted compounds of NMF
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Hartree-Fock, Post Hartree-Fock and density functional theory studies on structure and conformational stability of N-Methylen-Formamide (NMF) and substituted compounds of NMF
چکیده انگلیسی
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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 759, Issues 1–3, 14 February 2006, Pages 1-10
نویسندگان
, , ,