The assembly–disassembly–organization–reassembly (ADOR) process has been used to disassemble a parent zeolite with the UOV structure type and then reassemble the resulting layers into a novel structure, IPC‐12. The structure of the material has previously been predicted computationally and confirmed in our experiments using X‐ray diffraction and atomic resolution STEM‐HAADF electron microscopy. This is the first successful application of the ADOR process to a material with porous layers.
The interaction of
propene with K-FER zeolites was investigated
by a combination of IR spectroscopy, adsorption calorimetry, and theoretical
study. Periodic density functional theory (DFT) calculations were
performed using the DFT/CC scheme based on the Perdew–Burke–Ernzerhof
density functional for the description of the interaction between
propene and K-FER zeolites. On the basis of good agreement between
experimental and theoretical results, three types of adsorption complexes
were identified: (i) propene adsorbed on single K+ cation
sites characterized by a νCC vibrational
band at 1639 cm–1, (ii) propene bridging two nearby
K+ cations in dual-cation sites represented in the IR spectra
by a νCC vibrational band at 1633 cm–1, and (iii) propene molecules interacting with the
zeolite framework mainly by dispersion interactions characterized
by the νCC vibrational band at 1645 cm–1. The DFT calculations show that propene binds to
the potassium cation via a cation−π interaction. The
propene molecule adsorbed in the dual-cation site also exhibits the
cation−π binding mode, and it is stabilized by 14 kJ/mol
with respect to the adsorption complex at the isolated K+ cation site. The population of such bridged complexes increases
with a decreasing Si/Al ratio. The knowledge of various types of adsorption
complexes and their properties and parameters influencing their population
is crucial for understanding the adsorption properties of zeolites
as well as their ability to separate, purify, and store various gases,
especially hydrocarbons.
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