Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Iodine Sorption Complexes of Partially Cobalt(II) Exchanged Zeolite A. Two Crystal Structures of $Co_{3.5}Na_5Si_{12}Al_{12}O_{48}\cdot2.5I_2\;and\;Co_{3.5}Na_5Si_{12}Al_{12}O_{48}\cdot5.0I_2$

  • Kim, Yang (Department of Chemistry, Pusan National University) ;
  • Lee, Suk-Hee (Department of Chemistry, Pusan National University) ;
  • Seff, Karl (Department of Chemistry, University of Hawaii Honolulu)
  • Published : 1989.10.20
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Abstract

Two crystal structures of iodine sorption complexes of dehydrated partially Co(Ⅱ )-exchanged zeolite A, $Co_{3.5}Na_5-A{\cdot}xI_2$, x = 2.5 and 5.0, have been determined by single crystal X-ray diffraction techniques. Both structures were solved and refined in cubic space group, Pm3m at $21(1)^{\circ}C$. The structures of $Co_{3.5}Na_5-A{\cdot}2.5I_2$(a = 12.173(1) ${\AA}$) and $Co_{3.5}Na_5-A{\cdot}5.0I_2$(a = 12.130(1) ${\AA}$) were refined to the final error indices, $R_1$ = 0.081 and $R_2$ = 0.077 with 261 reflections and $R_1$ = 0.103 and $R_2$ = 0.112 with 225 reflections, respectively, for which I>3${\sigma}$(I). In both structures, 3.5 $Co^{2+}$ ions and 4.5 $Na^+$ ions per unit cell lie at two crystallographically different 6-ring positions. 0.5 $Na^+$ ion lines in an 8-oxygen ring plane. Dehydrated $Co_{3.5}Na_5$-A sorbs 2.5 iodine molecules per unit cell at $70^{\circ}C$ (vapor pressure of $I_2$ is ca. 8.3 torr) within 30 minutes and 5 iodine molecules per unit cell at $80^{\circ}C$ (vapor pressure of $I_2$ is ca. 14.3 torr) within 24 hours. Each iodine molecule makes a close approach, along its axis to framework oxygen atom with I-I-O = $175^{\circ}$.

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