High-Energy X-ray Diffraction Study on the Intramolecular Structure of 2-Aminoethanol in the Liquid State

High-energy X-ray diffraction measurements were carried out for liquid 2-aminoethanol (NH2CH2CH2OH, MEA) in order to obtain direct information on the conformation of MEA in the liquid state, in which competition between intra- and intermolecular hydrogen bonds might occur. Least-squares fitting anal...

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Bibliographic Details
Published in:Bulletin of the Chemical Society of Japan 2013, Vol.86 (1), p.99-103
Main Authors: Kameda, Yasuo, Deguchi, Hiroshi, Kubota, Yoshiyuki, Furukawa, Hirotoshi, Yagi, Yasuyuki, Imai, Yoshihiro, Tatsumi, Masahiko, Yamazaki, Noriko, Watari, Noriko, Hirata, Takuya, Matubayasi, Nobuyuki
Format: Article
Language:English
Subjects:
Bonding
Diffraction
Dihedral angle
Hydrogen bonds
Intramolecular structures
Least squares method
Liquids
X-rays
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Summary:High-energy X-ray diffraction measurements were carried out for liquid 2-aminoethanol (NH2CH2CH2OH, MEA) in order to obtain direct information on the conformation of MEA in the liquid state, in which competition between intra- and intermolecular hydrogen bonds might occur. Least-squares fitting analysis was applied to the high-Q region of the observed total interference term with excellent statistical accuracies. Independent parameters, the C–C, C–O, and C–N interatomic distances, bond angles, ∠OCC and ∠CCN, and a dihedral angle ∠(NCC)–(CCO), were successfully obtained. It has been concluded that the MEA molecule takes the gauche conformation with the dihedral angle ∠(NCC)–(CCO) = 53(3)°, suggesting the formation of the intramolecular hydrogen bond is dominant in the liquid state.
ISSN:0009-2673
1348-0634
DOI:10.1246/bcsj.20120222