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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Published inBulletin of the Chemical Society of Japan Vol. 86; no. 1; pp. 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 Journal Article
LanguageEnglish
Published Tokyo The Chemical Society of Japan 2013
Chemical Society of Japan
Subjects
Bonding
Diffraction
Dihedral angle
Hydrogen bonds
Intramolecular structures
Least squares method
Liquids
X-rays
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Abstract 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.
AbstractList 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.
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, [ang]OCC and [ang]CCN, and a dihedral angle [ang](NCC)-(CCO), were successfully obtained. It has been concluded that the MEA molecule takes the gauche conformation with the dihedral angle [ang](NCC)-(CCO) = 53(3) degree , suggesting the formation of the intramolecular hydrogen bond is dominant in the liquid state.
Abstract 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.
Author Furukawa, Hirotoshi
Yagi, Yasuyuki
Hirata, Takuya
Deguchi, Hiroshi
Kubota, Yoshiyuki
Imai, Yoshihiro
Watari, Noriko
Yamazaki, Noriko
Tatsumi, Masahiko
Kameda, Yasuo
Matubayasi, Nobuyuki
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Snippet High-energy X-ray diffraction measurements were carried out for liquid 2-aminoethanol (NH2CH2CH2OH, MEA) in order to obtain direct information on the...
Abstract High-energy X-ray diffraction measurements were carried out for liquid 2-aminoethanol (NH2CH2CH2OH, MEA) in order to obtain direct information on the...
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SubjectTerms Bonding
Diffraction
Dihedral angle
Hydrogen bonds
Intramolecular structures
Least squares method
Liquids
X-rays
Title High-Energy X-ray Diffraction Study on the Intramolecular Structure of 2-Aminoethanol in the Liquid State
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