Probing the acid strength of Bronsted acidic zeolites with acetonitrile: Quantum chemical calculation of (super 1)H, (super 15)N, and (super 13)C NMR shift parameters

Article Abstract:

A quantum mechanical cluster approach has been applied in the calculation of NMR shift parameters that are used to characterize the acid strength and accessibility of Bronsted acid sites in seven high-silica zeolites. The advantages of acetonitrile, as a highly experimental probe, of the acidity and accessibility of Bronsted acid sites are shown with the help of calculations.

Industrial sand, Silica & Silica Sand, Industrial Sand Mining, Silica, Nuclear magnetic resonance, Chemistry, Physical and theoretical, Physical chemistry, Structure, Silicon dioxide

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Effect of the Germanium incorporation in the synthesis of EU-1, ITQ-13, ITQ-22 and ITQ-24 Zeolites

Article Abstract:

Computational chemistry was used to rationalize Zeolite nucleation and crystallization by means of atomistic molecular mechanic techniques. It was shown that, by isomorphous substitution of Ge by Si, the relative rate of crystallization could be revered in series of zeolite structures that compete to nucleate and grow under certain synthesis condition.

Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Germanium, Influence, Crystallization, Nucleation, Nucleation (Chemistry)

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