title: Investigation of hydrogen-bond network in bis(glycinium) oxalate using single-crystal neutron diffraction and spectroscopic studies.
abstract: Single-crystal neutron diffraction investigation of bis(glycinium) oxalate was undertaken in order to study its hydrogen-bonding network, particularly the very short hydrogen bond between the glycinum and oxalate ions, indicated by the X-ray diffraction study. The non-existence of any phase transition in these crystals was attributed to the fact that the short hydrogen bond in bis(glycinium) oxalate is asymmetric in nature, with no hydrogen disorder. The potential energy landscape for the above-mentioned H atom was found to have a single minimum closer to the glycinium ion. IR and Raman investigations of the title complex supported the above result.
authors.affiliation: Solid State Physics Division, Bhabha Atomic Research Center, Trombay, Mumbai 400085, India. rchitra@barc.gov.in
authors.forename: R
authors.initials: R
authors.lastname: Chitra
authors.forename: R R
authors.initials: RR
authors.lastname: Choudhury
mesh_terms: D002152:Calorimetry, Differential Scanning; D018360:Crystallography, X-Ray; D005998:Glycine / Q000031:analogs & derivatives* / Q000737:chemistry; D006860:Hydrogen Bonding; D015394:Molecular Structure; D033363:Neutron Diffraction; D010070:Oxalates / Q000737:chemistry; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman
chemical_list: D010070:Oxalates; D005998:Glycine