Z. Dega‐Szafran, A. Gzella, Z. Kosturkiewicz
Nov 28, 2000
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0
Influential Citations
18
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The crystal and molecular structure of N -methylmorpholine betaine phosphate was solved by X-ray diffraction and four O·H·O hydrogen bonds were found. Two hydrogen atoms of phosphoric acid link both oxygen atoms of the N -methylmorpholine betaine by one short (O⋯O=2.466(3) A) and one longer (O⋯O=2.557(3) A) hydrogen bonds. The third hydrogen atom of phosphoric acid occupies the special position in the inversion centers of the unit cell and links PO 4 groups by two short and symmetrical hydrogen bonds (2.464(3) and 2.444(3) A) into infinite chains parallel to the x -axis. The FTIR spectrum of the complex shows a broad and intense absorption in the 3000–400 cm −1 region. Two different isotope effects ( ν OH/ ν OD) suggest that the absorption of the longer hydrogen bond is located in the 3000–1600 cm −1 region, but that attributed to the shorter hydrogen bonds is in the 1600–400 cm −1 region.