Carbonyl 13C Shielding Tensors and Heats of Adsorption of Acetone Adsorbed in Silicalite and the 1:1 Stoichiometric Complex in H−ZSM-5

Autor:	M. Allavena, David White, J. Sepa, and R. J. Gorte, E. M. Evleth, E. Kassab, Chi-Wan Lee, and H. Jessri
Rok vydání:	1996
Předmět:	Isothermal microcalorimetry Magic angle Hydrogen bond Inorganic chemistry General Engineering chemistry.chemical_compound Adsorption chemistry Acetone Physical chemistry Molecule Physical and Theoretical Chemistry ZSM-5 Zeolite
Zdroj:	The Journal of Physical Chemistry. 100:18515-18523
ISSN:	1541-5740 0022-3654
DOI:	10.1021/jp961817a
Popis:	The principal components of the carbonyl carbon chemical shift tensor of the hydrogen-bonded 1:1 stoichiometric acetone−H−ZSM-5 adsorption complex have been determined from an analysis of 13C NMR spectra of static and magic angle sample spinning powder samples at 78 and 130 K, respectively. In a similar manner the principal elements of this tensor have been determined for physisorbed acetone in silicalite and the pure solid in order to separate changes due to hydrogen bonding of the acetone molecule in the zeolite complex from confinement effects defined as interactions of the adsorbed molecule with the siliceous cavity. The energetics associated with such changes have also been measured using microcalorimetry. The differential heats of adsorption of acetone adsorbed in H−ZSM-5 and silicalite over a wide range of surface coverage are reported. The results are compared with ab-initio calculations of the reaction of acetone with model zeolite structures to form a stoichiometric hydrogen-bonded cluster−molec...
Databáze:	OpenAIRE
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