CE29 - Chimie : analyse, théorie, modélisation

Order and acidity in zeolites promoted by organic structure directing agents. New NMR approaches, modelling and reactivity – ZEOORG

Submission summary

Advances in solid-sate NMR characterisation and modelling by Quantum Mechanics methods lead to an important renewal of zeolite research. Our project is thought as a key step in this field. The global objective is to determine the nano-scale organization of zeolites with complex topology (e.g. MFI) in order to understand the role of the interactions between organic structure directing agents (OSDA) and zeolite and to vary the final properties accordingly. By combining the latest experimental and theoretical developments, the secondary objectives envisaged are:
I. Description of the local order (geometrical, chemical and dynamical) in zeolites of variable dimensionality (3D, 2D) using the OSDA (tetraalkylammoniums) as NMR probes.
II. Accurate determination of the most probable Al (further B and Ga) site distributions in ZSM-5 through the analysis of structure models validated by experimental and calculated NMR parameters.
III. Identification and evaluation of OSDA-zeolite interactions using the structural and dynamical data from models validated by NMR as the source of information.
IV. Modification of Brønsted acidity and catalytic activity by a rational chemical design of OSDA.

Project coordinator

Monsieur Bruno Alonso (Institut de chimie moléculaire et des matériaux - Institut Charles Gerhardt Montpellier)

The author of this summary is the project coordinator, who is responsible for the content of this summary. The ANR declines any responsibility as for its contents.

Partner

ICGM Institut de chimie moléculaire et des matériaux - Institut Charles Gerhardt Montpellier
LCPQ LABORATOIRE DE CHIMIE ET PHYSIQUE QUANTIQUE
CEMHTI Conditions Extrêmes et Matériaux : Haute température et Irradiation

Help of the ANR 458,686 euros
Beginning and duration of the scientific project: December 2019 - 48 Months

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