113Cd magic angle spinning NMR study of crystalline CdF2, KCdF3 and CdCl2 and vitreous CdX2-NaX-BaX2 (X = F and/or Cl)

Shinichi Sakida, M. Shojiya, Y. Kawamoto

Research output: Contribution to journalArticle

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Abstract

113Cd magic-angle spinning (MAS) NMR spectra of crystalline CdF2, KCdF3 and CdCl2 and vitreous 50CdF2·30NaF·20BaF2, 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 (x = 0, 5, 10, 15 and 20) and 50CdCl2·15NaCl·35BaCl2 in mol% were measured so as to reveal the anion coordination environments around Cd2+ in the glasses. The CdF2, KCdF3 and CdCl2 crystals gave the isotropic chemical shifts of about -226, -105 and 183 ppm, which are assigned to the CdF8, CdF6 and CdCl6 polyhedra, respectively. The 113Cd MAS NMR spectrum of 50CdF2·30NaF·20BaF2 glass enabled us to estimate quantitatively the fractions of CdF6, CdF7 and CdF8 polyhedra. The 113Cd MAS NMR spectra revealed that the 50CdCl2·15NaCl·35BaCl2 glass consists of CdCl6 octahedra and that the 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 glasses consist of CdF6-pClp, CdF7-qClq and CdF8 polyhedra (p = 0-6 and q = 0-5). The peak position and full-width-at-half-maximum values in the 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 glasses increased as BaF2 was substituted for BaCl2. This implies that the substitution of BaCl2 for BaF2 results in an increase in the number of Cl- bonded to Cd2+ and the occurrence of various anion-coordination environments around Cd2+.

Original languageEnglish
Pages (from-to)553-558
Number of pages6
JournalSolid State Communications
Volume115
Issue number10
Publication statusPublished - Jul 31 2000
Externally publishedYes

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Cadmium Chloride
Magic angle spinning
metal spinning
Nuclear magnetic resonance
Crystalline materials
Glass
nuclear magnetic resonance
polyhedrons
glass
Anions
Negative ions
anions
Chemical shift
Full width at half maximum
chemical equilibrium
Substitution reactions
occurrences
substitutes
Crystals
estimates

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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113Cd magic angle spinning NMR study of crystalline CdF2, KCdF3 and CdCl2 and vitreous CdX2-NaX-BaX2 (X = F and/or Cl). / Sakida, Shinichi; Shojiya, M.; Kawamoto, Y.

In: Solid State Communications, Vol. 115, No. 10, 31.07.2000, p. 553-558.

Research output: Contribution to journalArticle

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abstract = "113Cd magic-angle spinning (MAS) NMR spectra of crystalline CdF2, KCdF3 and CdCl2 and vitreous 50CdF2·30NaF·20BaF2, 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 (x = 0, 5, 10, 15 and 20) and 50CdCl2·15NaCl·35BaCl2 in mol{\%} were measured so as to reveal the anion coordination environments around Cd2+ in the glasses. The CdF2, KCdF3 and CdCl2 crystals gave the isotropic chemical shifts of about -226, -105 and 183 ppm, which are assigned to the CdF8, CdF6 and CdCl6 polyhedra, respectively. The 113Cd MAS NMR spectrum of 50CdF2·30NaF·20BaF2 glass enabled us to estimate quantitatively the fractions of CdF6, CdF7 and CdF8 polyhedra. The 113Cd MAS NMR spectra revealed that the 50CdCl2·15NaCl·35BaCl2 glass consists of CdCl6 octahedra and that the 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 glasses consist of CdF6-pClp, CdF7-qClq and CdF8 polyhedra (p = 0-6 and q = 0-5). The peak position and full-width-at-half-maximum values in the 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 glasses increased as BaF2 was substituted for BaCl2. This implies that the substitution of BaCl2 for BaF2 results in an increase in the number of Cl- bonded to Cd2+ and the occurrence of various anion-coordination environments around Cd2+.",
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N2 - 113Cd magic-angle spinning (MAS) NMR spectra of crystalline CdF2, KCdF3 and CdCl2 and vitreous 50CdF2·30NaF·20BaF2, 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 (x = 0, 5, 10, 15 and 20) and 50CdCl2·15NaCl·35BaCl2 in mol% were measured so as to reveal the anion coordination environments around Cd2+ in the glasses. The CdF2, KCdF3 and CdCl2 crystals gave the isotropic chemical shifts of about -226, -105 and 183 ppm, which are assigned to the CdF8, CdF6 and CdCl6 polyhedra, respectively. The 113Cd MAS NMR spectrum of 50CdF2·30NaF·20BaF2 glass enabled us to estimate quantitatively the fractions of CdF6, CdF7 and CdF8 polyhedra. The 113Cd MAS NMR spectra revealed that the 50CdCl2·15NaCl·35BaCl2 glass consists of CdCl6 octahedra and that the 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 glasses consist of CdF6-pClp, CdF7-qClq and CdF8 polyhedra (p = 0-6 and q = 0-5). The peak position and full-width-at-half-maximum values in the 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 glasses increased as BaF2 was substituted for BaCl2. This implies that the substitution of BaCl2 for BaF2 results in an increase in the number of Cl- bonded to Cd2+ and the occurrence of various anion-coordination environments around Cd2+.

AB - 113Cd magic-angle spinning (MAS) NMR spectra of crystalline CdF2, KCdF3 and CdCl2 and vitreous 50CdF2·30NaF·20BaF2, 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 (x = 0, 5, 10, 15 and 20) and 50CdCl2·15NaCl·35BaCl2 in mol% were measured so as to reveal the anion coordination environments around Cd2+ in the glasses. The CdF2, KCdF3 and CdCl2 crystals gave the isotropic chemical shifts of about -226, -105 and 183 ppm, which are assigned to the CdF8, CdF6 and CdCl6 polyhedra, respectively. The 113Cd MAS NMR spectrum of 50CdF2·30NaF·20BaF2 glass enabled us to estimate quantitatively the fractions of CdF6, CdF7 and CdF8 polyhedra. The 113Cd MAS NMR spectra revealed that the 50CdCl2·15NaCl·35BaCl2 glass consists of CdCl6 octahedra and that the 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 glasses consist of CdF6-pClp, CdF7-qClq and CdF8 polyhedra (p = 0-6 and q = 0-5). The peak position and full-width-at-half-maximum values in the 50CdF2·30NaCl·(20-x)BaF2·xBaCl2 glasses increased as BaF2 was substituted for BaCl2. This implies that the substitution of BaCl2 for BaF2 results in an increase in the number of Cl- bonded to Cd2+ and the occurrence of various anion-coordination environments around Cd2+.

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