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Title: A solid-state [sup 13]C NMR study of the molecular motion of ethylene adsorbed on a silver surface

Abstract

The reorientation of ethylene on a silver catalyst surface has been studied by solid-state [sup 13]C NMR. The static cross-polarization spectra at different temperatures have been measured. Different jump site models are proposed to simulate the experimental results. It was found that the models involving a low number of jump sites are more sensitive to the experimental details. By comparison of the simulated and experimental results, the 6- and 4-site jump models are chosen as the most satisfactory model to fit the experimental spectra. On the basis of this representation, the activation energy derived for the jump process is 4.3 kJ/mol. From the simulated results, it was concluded that the symmetry axis for the motion of the ethylene at low temperatures ([minus]173 to ca. [minus]45[degrees]C) is perpendicular to the plane of the ethylene molecule. At higher temperatures motion about other axes is initiated such that at room temperature a nearly isotropically averaged [sup 13]C shielding tensor is observed. 20 refs., 9 figs.

Authors:
;  [1]
  1. (Univ. of South Carolina, Columbia (United States))
Publication Date:
OSTI Identifier:
6483121
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of the American Chemical Society; (United States); Journal Volume: 115:1
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ETHYLENE; SORPTION; SILVER; SORPTIVE PROPERTIES; ACTIVATION ENERGY; CARBON 13; CATALYSTS; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; ALKENES; CARBON ISOTOPES; ELEMENTS; ENERGY; EVEN-ODD NUCLEI; HYDROCARBONS; ISOTOPES; LIGHT NUCLEI; MAGNETIC RESONANCE; METALS; NUCLEI; ORGANIC COMPOUNDS; RESONANCE; STABLE ISOTOPES; SURFACE PROPERTIES; TRANSITION ELEMENTS; 400201* - Chemical & Physicochemical Properties

Citation Formats

Jianxin Wang, and Ellis, P.D. A solid-state [sup 13]C NMR study of the molecular motion of ethylene adsorbed on a silver surface. United States: N. p., 1993. Web. doi:10.1021/ja00054a030.
Jianxin Wang, & Ellis, P.D. A solid-state [sup 13]C NMR study of the molecular motion of ethylene adsorbed on a silver surface. United States. doi:10.1021/ja00054a030.
Jianxin Wang, and Ellis, P.D. Wed . "A solid-state [sup 13]C NMR study of the molecular motion of ethylene adsorbed on a silver surface". United States. doi:10.1021/ja00054a030.
@article{osti_6483121,
title = {A solid-state [sup 13]C NMR study of the molecular motion of ethylene adsorbed on a silver surface},
author = {Jianxin Wang and Ellis, P.D.},
abstractNote = {The reorientation of ethylene on a silver catalyst surface has been studied by solid-state [sup 13]C NMR. The static cross-polarization spectra at different temperatures have been measured. Different jump site models are proposed to simulate the experimental results. It was found that the models involving a low number of jump sites are more sensitive to the experimental details. By comparison of the simulated and experimental results, the 6- and 4-site jump models are chosen as the most satisfactory model to fit the experimental spectra. On the basis of this representation, the activation energy derived for the jump process is 4.3 kJ/mol. From the simulated results, it was concluded that the symmetry axis for the motion of the ethylene at low temperatures ([minus]173 to ca. [minus]45[degrees]C) is perpendicular to the plane of the ethylene molecule. At higher temperatures motion about other axes is initiated such that at room temperature a nearly isotropically averaged [sup 13]C shielding tensor is observed. 20 refs., 9 figs.},
doi = {10.1021/ja00054a030},
journal = {Journal of the American Chemical Society; (United States)},
number = ,
volume = 115:1,
place = {United States},
year = {Wed Jan 13 00:00:00 EST 1993},
month = {Wed Jan 13 00:00:00 EST 1993}
}