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Inne
Influence of hydrogen bonding on the conformation of ortho-aminomethylphenol.
Autorzy
Rok wydania
2000
Czasopismo
Journal of Molecular Structure
Numer woluminu
523
Strony
223-239
DOI
10.1016/S0022-2860(99)00415-9
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Intramolecular hydrogen bonding in ortho-aminomethylphenol is analysed with the aid of ab initio and density functional theory calculations. Selected properties of the components, phenol and benzylamine, are compared to those of the hydrogen-bonded form of the Mannich base as well as that of the non-hydrogen-bonded structure. Additionally, the gas phase infrared spectrum of benzylamine is analysed in terms of the possible conformations of the molecule.
Słowa kluczowe
Ab initio calculations, Mannich bases, Benzylamine, Ortho-aminomethylphenol, Intramolecular hydrogen bonding
Adres publiczny
https://doi.org/10.1016/S0022-2860(99)00415-9
Strona internetowa wydawcy
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