Local Structure around the Amino Group of Glycine Carbamate in Concentrated Aqueous Solutions

  • Yasuo Kameda
    Department of Material and Biological Chemistry, Faculty of Science, Yamagata University
  • Yuko Amo
    Department of Material and Biological Chemistry, Faculty of Science, Yamagata University
  • Takeshi Usuki
    Department of Material and Biological Chemistry, Faculty of Science, Yamagata University

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<jats:title>Abstract</jats:title> <jats:p>Neutron diffraction measurements were carried out on aqueous alkaline 2 mol % glycine heavy water solutions absorbing CO2. 14N/15N isotopic substitution was applied to obtain information on the molecular structure of glycine carbamate formed in the solution and the hydration structure around the nitrogen atom of the carbamate molecule. The least-squares fitting analysis of the higher-Q region of the observed first-order difference function Δ′N(Q) between 14N- and 15N-enriched sample solutions revealed that the intramolecular distances within the carbamate molecule, r(N–CC) = 1.58(1) Å and r(CC–OC) = 1.25(1) Å, where CC and OC denote the carbamate carbon and oxygen atoms, respectively. It was shown that on the average 2.1(2) D2O molecules were hydrogen-bonded to the amino-hydrogen atoms of the carbamate molecule with the intermolecular distances of r(N···OW) = 2.86(3) Å and r(N···DW) = 3.18(5) Å (OW: water oxygen, DW: water deuterium atoms), respectively.</jats:p>

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