Molecular Motions of Hydrogen Bonded CH3CN in the Zeolite Chabazite: Comparison of First-Principles Molecular Dynamics Simulations with Results from 1H, 2H, and 13C NMR-Reference-Cited by-同舟云学术

Molecular Motions of Hydrogen Bonded CH3CN in the Zeolite Chabazite: Comparison of First-Principles Molecular Dynamics Simulations with Results from 1H, 2H, and 13C NMR

Published:2000-11-17 Issue:49 Volume:104 Page:11734-11747
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Trout B. L.¹,Suits B. H.¹,Gorte R. J.¹,White David¹

Affiliation:

1. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, Department of Physics, Michigan Technological University, Houghton, Michigan 49931, Department of Chemical Engineering and Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0028204

Reference74 articles.

1. Methods for Characterizing Zeolite Acidity

2. Molecular motions and carbon-13 chemical shift anisotropy of acetone adsorbed in H-ZSM-5 zeolite

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

4. The 13C chemical shielding, 14N quadropole and the dipolar tensors of the nitrile group in the hydrogen-bonded acetonitrile-H-ZSM-5 adsorption complex

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