Crystallographic Analysis of Ar Encapsulate within Cs3-A Zeolite

  • Lim, Woo Taik (Pohang Accelerator Laboratory, Pohang University of Science and Technology) ;
  • Kim, Bok Jo (Department of Environmental Engineering, Kyungwoon University) ;
  • Park, Jong Sam (Department of Industrial Chemistry, Kyungpook National University) ;
  • Chang, Chang Hwan (Research Institute of Industrial Science and Technology) ;
  • Jung, Sung Wook (Research Institute of Industrial Science and Technology) ;
  • Heo, Nam Ho (Department of Industrial Chemistry, Kyungpook National University)
  • Received : 2002.09.06
  • Published : 2002.12.25

Abstract

The arrangement of encapsulated Ar atoms in the molecular-dimensioned cavities of fully dehydrated zeolite A of unit-cell composition $Cs_3Na_8HSi_{12}Al_{12}O_{48}$ ($Cs_3$-A) has been studied crystallographically to probe the confinement effect of guest species in microporous environment. Atoms of Ar were encapsulated in the cavities of $Cs_3$-A by treatment with 410 atm of Ar at $400^{\circ}C$ for two days, followed by cooling at room temperature. The crystal structure of $Cs_3Na_8H$-A(4Ar) ($P_e$ = 410 atm, $a=12.245(2){\AA}$, $R_1=0.0543$, and $R_2=0.0552$) has been determined by single crystal X-ray diffraction technique in the cubic space group $Pm\bar{3}m$ at 21 (1) $^{\circ}C$ and 1 atm. Encapsulated Ar atoms are distributed in three crystallographic distinct positions: 1.5 Ar atoms per unit cell opposite 6-rings, 1.5 opposite four-rings in the large cavity, and finally 1.0 in the sodalite-unit. The possible structures of argon clusters, such as $Ar_2$, $Ar_3$, and $Ar_4$, are proposed.

Keywords

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