Bond covalency in perovskite oxynitrides ATaO(2)N (A = Ca, Sr, Ba) studied by N-14 NMR spectroscopy

Title
Bond covalency in perovskite oxynitrides ATaO(2)N (A = Ca, Sr, Ba) studied by N-14 NMR spectroscopy
Author(s)
김영일백윤기[백윤기]
Keywords
NEUTRON; BATAO2N; DIFFRACTION; BANBO2N; METALS
Issue Date
201205
Publisher
ELSEVIER SCIENCE BV
Citation
SOLID STATE SCIENCES, v.14, no.5, pp.580 - 582
Abstract
Local geometry and bond ionicity around the nitride ions in simple perovskite oxynitrides ATaO(2)N (A = Ca, Sr, Ba) have been investigated by solid-state magic-angle spinning (MAS) NMR spectroscopy. From all three compounds, fairly sharp N-14 NMR peaks were observed, suggestive of the symmetric coordination environment of nitride ions. The N-14 chemical shifts of ATaO(2)N, delta = 269-272 ppm relative to NH4Cl (delta = 0 ppm), are correlated to the bond ionicity, based on the N-Ta bond distances and Ta-N -Ta bond angles determined from the Rietveld refinement of neutron diffraction patterns. The H-1 NMR measured for BaTaO2N presented a peak corresponding to H2O, implying that the polycrystalline surface of present oxynitride phases is covered by hydroxide terminals. (C) 2012 Elsevier Masson SAS. All rights reserved.
URI
http://hdl.handle.net/YU.REPOSITORY/28304http://dx.doi.org/10.1016/j.solidstatesciences.2012.02.007
ISSN
1293-2558
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이과대학 > 화학생화학부 > Articles
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