Research Grants 06/01278-9 - Química supramolecular, Peneira molecular - BV FAPESP
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Determination of active sites in layered and zeolitic solids: probe molecules adsorption and monitoring by infrared spectroscopy

Abstract

The evolution of our understanding of the Solid State Chemistry has been strongly based on the structural information from a series of physical methods. Several of them have an important role in structure determination, but it is doubtless that definitive data are acquired by diffraction methods. Bond lengths and angles, along with atomic positions in a crystal are obtained easily when a large single crystal is available. In frequent cases, however, the samples are polycrystalline, the same parameters can be determined in time consuming processes, using structure refining methods, often Rietveld refinement.Models of electronic and magnetic structure can be created based on transport measurements, for instance, conductivity in several temperatures and the behavior of the material under the influence of several magnetic fields in several temperatures. These three approaches, crystalline, electronic and magnetic, together, provide an essentially complete landscape of the properties and features of the solids that respond for cooperative behavior or that depend on a set of several unit cells to manifest.The behavior and characteristics known as "localized", on which is based the particular reactivity of each solid, are probed by local techniques. Among them, are of note the nuclear magnetic resonance with its numerous and special approaches and techniques, the photoelectron spectroscopy and the vibrational and electronic spectroscopies after adsorption of probe molecules. This project deals with these two last techniques applied to molecular sieves. (AU)

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