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Structure and vibrational spectra of the bis(betaine)-selenic acid molecular crystal |
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| Authors: | J Baran A J Barnes M K Marchewka A Pietraszko H Ratajczak |
| Institution: | a Institute of Low Temperature and Structure Research of the Polish Academy of Sciences, ul. Okolna 2, 50-950, Wroclaw, Poland b Centre Scientifique de l'Academie Polonaise des Sciences, 74 rue Lauriston, 75116, Paris, France |
| Abstract: | The crystal structure of bis(betaine)-selenic acid has been determined by X-ray diffraction as orthorhombic, space group Pbca, with a = 11.591(2), b = 22.930(5), c = 12.045(2) Å and Z = 8. The crystal comprises hydrogen selenate ions, HSeO?4, and two distinct betaine molecules, which are held together into a complex by short hydrogen bonds. One of the betaine molecules is present as the zwitterion form (CH3)3N+---CH2---COO? and the second occurs as the protonated form (CH3)3N+---CH2---COOH. Powder FTIR and Raman spectra were measured. An assignment of the observed bands to vibrations of the hydrogen bonds and internal vibrations of the hydrogen selenate ion and the betaine molecules is proposed. |
| Keywords: | X-ray crystallography FTIR spectroscopy Raman spectroscopy Hydrogen bonding Bis(betaine)-selenic acid |
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