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论文类型：期刊论文

发表时间：2009-02-17

发表刊物：JOURNAL OF MOLECULAR STRUCTURE

收录刊物：SCIE、EI

卷号：919

期号：1-3

页面范围：21-25

ISSN号：0022-2860

关键字：Morpholine; Molecular complex; Hydrogen bond; Electron transfer; Single crystal

摘要：Morpholine absorbs CO2 and H2O in air to form a molecular complex: morpholinium-1-morpholinecarboxylate-H2O. The structure of the complex was characterized by X-ray single crystal diffraction H-1 NMR, and FT-IR. The crystal structure was determined to be triclinic space group P (1) over bar with a = 6.494(2) angstrom, b = 8.098(4) angstrom, c = 13.533(4) angstrom, alpha = 96.99(3)degrees, beta = 102.57(2)degrees, gamma = 104.15(3)degrees, Z = 2. The complex is stabilized via three hydrogen bonds between the three components, N center dot center dot center dot O electrostatic attraction and O center dot center dot center dot O interaction (electron transfer). Due to electron transfer of the carbamate ion, the oxygen atom in water molecule is strongly negatively charged and the O-H bond is considerably shorter than that of free water molecules. The formation of the molecular complex is a reversible process and will decompose upon heating. The mechanism of formation and stabilization is further investigated herein. (c) 2008 Elsevier B.V. All rights reserved.