Preparation and single-crystal structure of mesitylene sorption complex of fully dehydrated fully Mn2+-exchanged zeolite Y (FAU)

作者：Shamsuzzoha Md; Seo Sung Man; Kim Young Hun; Lim Woo Taik^*

来源：Microporous and Mesoporous Materials, 2011, 143(2-3): 326-332.

DOI：10.1016/j.micromeso.2011.03.013

• Structure
• Mesitylene
• Sorption
• Zeolite Y
• Mn2+-exchanged

The single-crystal structure of a mesitylene sorption complex of fully dehydrated fully Mn2+-exchanged zeolite Y, [Mn-37.5(C9H12)(15)][Si117Al75O384]-FAU, has been determined by single-crystal synchrotron X-ray diffraction techniques in the space group Fd (3) over barm at 100(1) K. A fully dehydrated fully Mn2+-exchanged zeolite Y crystal ([Mn-37.5][Si117Al75O384]-FAU, Si/Al = 1.56) was treated with zeolitically dried mesitylene at 297(1) K for 3 days. The structure of the resulting dark-brown crystal was refined using all intensities to the final error indices (using the 570 reflections for which F-o > 4 sigma(F-o)) of R-1 = 0.063 and wR(2) = 0.151. In this structure, 37.5 Mn2+ ions per unit cell are found at four crystallographic positions: 14.5 are at the centers of the double 6-rings (site I) and three are in the sodalite cavity opposite the double 6-rings (site I'). The remaining 20 are found at two nonequivalent sites II, near 6-rings in the supercage with occupancies of 5 and 15, respectively. Fifteen mesitylene molecules per unit cell lie on threefold axes where these interact facially with the 15 Mn2+ ions at the first site II (Mn2+-mesitylene center = ca. 2.65 angstrom). Of the three hydrogen atoms per methyl group, one is calculated to be 2.14 angstrom from a framework oxygen and another one is 2.48 angstrom from another framework oxygen atom. Mesitylene appears to be slightly distorted in the same way.

• 出版日期2011-9