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제106회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Crystallographic studies of Li+-exchanged Zeolites X and Y, |Li92|[Si100Al92O384]-FAU and |Li64Na6|[Si117Al75O384]-FAU

등록일
2010년 8월 31일 11시 50분 19초
접수번호
1552
발표코드
Ⅲ-PHYS.P-229 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 <발표Ⅲ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
김후식, 임우택
안동대학교 응용화학과, Korea
Single crystals of fully dehydrated and fully Li+-exchanged Zeolite X (|Li92|[Si100Al92O384]-FAU) and partially Li+-exchanged Zeolite Y (|Li64Na6|[Si117Al75O384]-FAU) have been determined by single-crystal X-ray diffraction techniques at 100 K in the cubic space groups Fd3- (a = 24.663(1) Å) and Fd3 -m (a = 24.619(1) Å), respectively. The two Single-crystal structures were refined using all intensities to the final error indices (using only the 1179 and 554 reflections for which Fo > 4(Fo), respectively) R1/R2 = 0.0806/0.2596 and 0.0436/0.1602, respectively. In the structure of |Li92|[Si100Al92O384]-FAU, 92 Li+ ions per unit cell are located at three different crystallographic sites. The 32 Li+ ions at Li(I’) per unit cell are located at site I’ in the sodalite cavity opposite D6Rs (Li-O = 1.903(5) Å and O-Li-O = 117.9(3)°). The 32 Li+ions fill sites II opposite double 6-rings in the supercage (Li-O = 1.968(5) Å and O-Li-O = 118.4(3)°). The 28 Li+ ions at Li(III) per unit cell occupy the 96-fold positions at site III in the supercage (Li-O = 2.09(12) Å and O-Li-O = 98(8)°). In the structure of |Li64Na6|[Si117Al75O384]-FAU, 64 Li+ and 6 Na+ions per unit cell are located at two and one different crystallographic sites, respectively. The 32 Li+ ions fill site I’ in the sodalite cavities on 3-fold axes opposite double 6-rings (Li-O = 1.918(4) Åand O-Li-O = 117.8(3)°), 32 Li+ ions fill site II opposite double 6-ring in the supercage (Li-O = 2.000(4) Å and O-Li-O = 117.4(3)°). The 6 Na+ ions occupy at site III’ (Na-O = 2.55(3) Åand O-Li-O = 79.3(10)°).

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