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제올라이트 X 착물의 결정구조
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  • 제올라이트 X 착물의 결정구조
  • Crystal Structure of a Carbon Monoxide Sorption Complex of Fully $Ca^{2+}$-Exchanged Zeolite X
저자명
이석희,김용권,정경화,김남석,박근호,Lee. Seok-Hee,Kim. Yong-Gwon,Jeong. Gyoung-Hwa,Kim. Nam-Seok,Park. Keun-Ho
간행물명
한국유화학회지
권/호정보
2005년|22권 1호|pp.28-34 (7 pages)
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한국유화학회
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정기간행물|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

The structure of a carbon monoxide sorption complex of dehydrated fully $Ca^{2+}$-exchanged zeolite X, $|Ca_{46}(CO)_{27}|[Si_{100}Al_{92}O_{384}]$-FAU, has been determined in the cubic space group $Fd;{overline{3}}$ at $21^{circ}C$ (a = 24.970(4) ) by single-crystal X-ray diffraction techniques. The crystal was prepared by ion exchange in a flowing stream of 0.05 M aqueous ${Ca(NO_3)_2}$ for three days, followed by dehydration at $400^{circ}C$ and $2{ imes}10^{-6}$ Torr for two days, and exposure to 100 Torr of zeolitically dry carbon monoxide gas at $21^{circ}C$. The structure was determined in this atmosphere and was refined, using the 356 reflections for which $F_o$ > $4{sigma}(F_o)$, to the final error indices $R_1$ = 0.059 and $wR_2$ = 0.087. In this structure, $Ca^{2+}$ ions occupy three crystallographic sites. Sixteen $Ca^{2+}$ ions fill the octahedral site I at the centers of hexagonal prisms (Ca-O = 2.415(7) ${AA}$). The remaining 30 $Ca^{2+}$ ions are found at two nonequivalent sites II (in the supercages) with occupancies of 3 and 27 ions. Each of these $Ca^{2+}$ ions coordinates to three framework oxygens, either at 2.276(10) or 2.298(8) ${AA}$, respectively. Twenty-seven carbon monoxide molecules have been sorbed per unit cell, three per supercage. Each coordinates to one of the latter 16 site-II $Ca^{2+}$ ions: C-Ca = 2.72(8) ${AA}$. The imprecisely determined N-C bond length, 1.26(14) ${AA}$, differs insignificantly from that in carbon monoxide(g), 1.13 ${AA}$.