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Structural study of a cyclopentane sorption complex of fully dehydrated H-ZSM-5 (Si/Al = 24), |H3.8(C5H10)1.47|[Al3.8Si92.2O192]-MFI
Journal of Porous Materials ( IF 2.5 ) Pub Date : 2021-08-30 , DOI: 10.1007/s10934-021-01134-9
Jong Jin Kim 1 , Bong Been Yim 1 , Hyun-Jae Lee 1 , Sayantika Nath 2 , Hu Sik Kim 2 , Woo Taik Lim 2 , Nam Ho Heo 3
Affiliation  

To study the cyclopentane sorption sites and the effect of sorption on the H-ZSM-5 structure, crystal of H-ZSM-5 were prepared by burning out the tetrapropylammonium cations in air. For the adsorption of cyclopentane into H-ZSM-5 crystal, the crystal was treated with zeolitically dried cyclopentane for 6 h at 297 K, and then evacuated for 600 s at this temperature and 1.1 × 10–4 Pa. The structure of a single crystal of cyclopentane sorption complex of dehydrated H-ZSM-5 (MFI, |H3.8(C5H10)1.47|[Al3.8Si92.2O192]-MFI, Si/Al = 24) has been determined crystallographically using synchrotron X-radiation in the orthorhombic space group Pnma; a = 20.141(4), b = 19.944(4), c = 13.439(3) Å. It was refined using all intensities to the final error indice R1 = 0.072. The 1.47 cyclopentane molecules per unit cell are located between 5-rings in zigzag channel. The cyclopentane molecules are located perpendicular to the 10-rings of zigzag channel and parallel to the 5-rings of H-ZSM-5 framework at the center of them. Each cyclopentane molecule is held in place by 16 hydrogen bonds between all hydrogen atoms of cyclopentane and framework oxygen atoms of its 5- and 10-rings: C···O ca. 3.318 ~ 3.992 Å.



中文翻译:

完全脱水的 H-ZSM-5 (Si/Al = 24)、|H3.8(C5H10)1.47|[Al3.8Si92.2O192]-MFI 的环戊烷吸附配合物的结构研究

为了研究环戊烷的吸附位点和吸附对H-ZSM-5结构的影响,通过在空气中燃烧四丙基铵阳离子制备了H-ZSM-5晶体。为了将环戊烷吸附到 H-ZSM-5 晶体中,将晶体用沸石干燥的环戊烷在 297 K 下处理 6 h,然后在该温度和 1.1 × 10 –4  Pa下抽真空 600 s 。脱水 H-ZSM-5 的环戊烷吸附配合物晶体 (MFI, |H 3.8 (C 5 H 10 ) 1.47 |[Al 3.8 Si 92.2 O 192 ]-MFI, Si/Al = 24) 已使用同步加速器 X 进行晶体学测定-正交空间群中的辐射Pnma ; a  = 20.141(4), b  = 19.944(4), c  = 13.439(3) Å。使用所有强度将其细化到最终误差指数R 1  = 0.072。每个晶胞的 1.47 个环戊烷分子位于锯齿形通道中的 5 个环之间。环戊烷分子垂直于锯齿形通道的 10 环并平行于其中心的 H-ZSM-5 骨架的 5 环。每个环戊烷分子由环戊烷的所有氢原子与其 5 和 10 环的骨架氧原子之间的 16 个氢键固定在适当的位置:C···O ca。3.318 ~ 3.992 埃。

更新日期:2021-08-31
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