Adsorption of pyrrole derivatives in alkali metal cation-exchanged faujasites: comparative studies by surface vibrational techniques, X-ray diffraction and temperature-programmed desorption augmented with theoretical studies Part II. Methylated pyrrole derivatives as probe molecules

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DOI 10.1039/A902200G
Impact Factor 3.676
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Abstract

The nature and strength of interaction of methylated pyrrole derivatives (N-methylpyrrole, 2-methylpyrrole and 2,5-dimethylpyrrole) adsorbed in alkali metal cation-exchanged faujasites have been investigated by the joint use of temperature-programmed desorption (TPD), infrared spectroscopy and X-ray diffraction accompanied by quantum mechanical studies. It was found that successive methylation of pyrrole leads to an enhancement of the electron donor properties by which the effective strength of interaction can be subtly tuned. However, a complex adsorption behaviour dependent on the kind of cation, the degree of ion exchange and the Si/Al ratio of the zeolites was observed. The results indicate that obviously different kinds of interaction occur simultaneously. To discriminate between different adsorption sites of the probes the experimentally obtained results were verified by quantum mechanical abinitio calculations.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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