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제106회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Synthesis and Characterization of Benzene Sorption Complex of Fully Dehydrated and Fully Mn2+-exchanged Zeolite Y (FAU, Si/Al = 1.56)

등록일
2010년 8월 31일 12시 12분 16초
접수번호
1556
발표코드
Ⅲ-PHYS.P-231 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 <발표Ⅲ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
Md. Shamsuzzoha, 서성만, 김영훈1, 임우택
안동대학교 응용화학과, Korea
1안동대학교 환경공학과, Korea
Benzene sorption complex of fully dehydrated and fully Mn2+-exchanged Zeolite Y, |Mn37.5(C6H6)24|[Si117Al75O384]-FAU, was prepared by ion exchange in a static method of 0.1 M aqueous Mn(NO3)2 for 20 days, followed by dehydration at 723 K and 1 × 10-6 Torr for 2 days, followed by exposure to zeolitically dried benzene at 297(1) K for 3 days. The structure was determined by single-crystal X-ray diffraction techniques in the space group Fd3-m at 100(1) K and refined using all intensities to the final error indices (using the 544 reflections for which Fo > 4σ(Fo)) of R1 = 0.050 (based on F) and wR2 = 0.147 (based on F2). All 37.5 Mn2+ ions are located at four crystallographic sites; 13.5 Mn2+ ions are occupied at the centers of the double 6-rings (site I); 4 and 2 Mn2+ ions are filled in the sodalite cavity at site I´ and site II´, respectively. The remaining 18 Mn2+ ions are in the supercage near single 6-rings at site II. The benzene molecules are found at two distinct sites within the supercages. Eighteen benzene molecules lie on 3-fold axes in the large cavities where they interact facially with the 18 site II Mn2+ ions (Mn2+-benzene center = ca. 2.53 Å; occupancy = 18 molecules/32 sites). The Mn2+ ions at site II extend more ca. 0.44 Å inside the supercage from the plane of the three oxygens to which it is bound compared with Mn37.5-Y. The remaining six benzene molecules are found in 12-ring planes; occupancy 6 molecules/16 sites where each is stabilized by multiple weak electrostatic and van der Waals interactions with framework oxygens.

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