title: Evidence of a phase transition of RbHCO3 from high-resolution solid-state 13C and 87Rb NMR by comparison with KHCO3.
abstract: A variable-temperature high-resolution 13C and 87Rb solid-state NMR study of powder rubidium hydrogencarbonate, RbHCO3, is presented for the first time. At ambient temperature, RbHCO3 is formed by centrosymmetric dimers linked by hydrogen bonds, but almost no information is available on this compound concerning proton disorder and the low-temperature phase. However, potassium hydrogencarbonate, KHCO3, which has an isomorphic structure for the high temperature phase, was well studied: it undergoes a non-ferroic, non-ferroelectric phase transition at Tc = 318 K between two monoclinic structures. The protons are disordered in an asymmetric double-well potential in the low-temperature phase, and the double-well potential becomes symmetric in the high-temperature phase. By comparison with recent solid-state NMR experimental results on KHCO3, we show that RbHCO3 undergoes a phase transition at Tc approximately 245 K, and give evidence that the proton dynamic disorder in both compounds is very similar.
authors.affiliation: Groupe Matière Condensée et Matériaux, UMR 6626 au CNRS, Université Rennes I, Campus de Beaulieu, 35042 Rennes Cedex, France. christophe.odin@univ.rennes1.fr
authors.forename: Christophe
authors.initials: C
authors.lastname: Odin
mesh_terms: D000465:Algorithms; D001639:Bicarbonates / Q000032:analysis / Q000737:chemistry*; D002247:Carbon Isotopes; D002250:Carbon Radioisotopes; D003461:Crystallography / Q000379:methods*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D008968:Molecular Conformation; D044367:Phase Transition; D017680:Potassium Compounds / Q000737:chemistry*; D011208:Powders; D012413:Rubidium / Q000032:analysis / Q000737:chemistry*; D012414:Rubidium Radioisotopes; D012680:Sensitivity and Specificity
chemical_list: D001639:Bicarbonates; D002247:Carbon Isotopes; D002250:Carbon Radioisotopes; D017680:Potassium Compounds; D011208:Powders; D012414:Rubidium Radioisotopes; C026329:potassium bicarbonate; D012413:Rubidium