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5073941 
Journal Article 
Structure of a cyclohexane sorption complex of partially dehydrated, fully Mn2+-exchanged zeolite Y (FAU, Si/Al=1.56) 
Moon, DaeJun; Jeong, HaeK; Lim, WooT; Seff, K 
2018 
1 
Microporous and Mesoporous Materials
ISSN: 1387-1811 
264 
139-146 
WOS:000430900000019 
The structure of a cyclohexane sorption complex of partially dehydrated, fully Mn2+-exchanged zeolite Y has been determined at 100(1) K by single-crystal synchrotron X-ray diffraction techniques. It was refined using all intensities to the final error indices R-1 = 0.052 and wR(2) = 0.174. Cyclohexane molecules of symmetry (3) over bar2/m (D-3d, chair form) occupy 5.7 of the 16 12-rings per unit cell. Each cyclohexane molecule is held in place by 18 weak hydrogen bonds between its six equatorial hydrogen atoms and all 12 oxygen atoms of its 12-ring: C center dot center dot center dot O ca. 3.85 angstrom. Mn2+ ions are found at four crystallographic sites, I, I', II', and II. Each of the 17.7(2) Mn2+ ions per unit cell at site II (opposite 6-rings in the supercage) coordinates tetrahedrally to three framework oxygen atoms and a water molecule. The cyclohexane molecules interact neither with the Mn2+ ions nor with the water molecules. 
Zeolite Y; Manganese; Cyclohexane; Crystal structure; Sorption