Structure of a cyclohexane sorption complex of partially dehydrated, fully Mn2+-exchanged zeolite Y (FAU, Si/Al = 1.56)
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© 2018 Elsevier Inc. The structure of a cyclohexane sorption complex of partially dehydrated, fully Mn 2+ -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¯2/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⋯O ca. 3.85 Å. Mn 2+ ions are found at four crystallographic sites, I, I′, II′, and II. Each of the 17.7(2) Mn 2+ 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 Mn 2+ ions nor with the water molecules.
author list (cited authors)
Moon, D. J., Jeong, H., Lim, W. T., & Seff, K.