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Crystal structures and isotope effect on Na 5 H 3 (SeO 4 ) 4 ·2H 2 O and Na 5 D 3 (SeO 4 ) 4 ·2D 2 O crystals
Author(s) -
Fukami T.,
Miyazaki J.,
Tomimura T.,
Chen R. H.
Publication year - 2010
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201000116
Subject(s) - triclinic crystal system , crystallography , deuterium , kinetic isotope effect , chemistry , differential scanning calorimetry , hydrogen bond , crystal structure , crystal (programming language) , hydrogen , hydrogen atom , molecule , group (periodic table) , physics , thermodynamics , organic chemistry , quantum mechanics , computer science , programming language
Differential scanning calorimetry (DSC) and X‐ray diffraction measurements have been performed on pentasodium trihydrogen tetraselenate dihydrate Na 5 H 3 (SeO 4 ) 4 ·2H 2 O and deuterated Na 5 D 3 (SeO 4 ) 4 ·2D 2 O crystals. Any distinct anomaly around 428 K in the DSC curves for both crystals is suggested to be caused by a chemical reaction of thermal decomposition with hydrolysis at high temperature. The space group symmetry (triclinic P $ \bar 1 $ ) and the structure parameters are determined at room temperature. The hydrogen atom in the centrosymmetric O‐H(D)‐O hydrogen bond of both crystals is found to be equally distributed at two equivalent sites in the bond. The expansions of two O‐H‐O hydrogen bonds by the substitution of deuterium are observed to be 0.016(6) and 0.011(4) Å. The geometric isotope effect on hydrogen bonds is confirmed to be existed in Na 5 H 3 (SeO 4 ) 4 ·2H 2 O. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)