High-pressure (super 129)Xe NMR study of xenon confined in the nanochannels of solid (plus mn)-[Co(en)3]Cl3

Article Abstract:

An attempt is made to investigate the pore size as well as the local structure about the confined xenon atoms, for this high-pressure (super 129)Xe NMR measurements were carried out on dehydrated (plus mn)-[Co(en)3]Cl3. The (super 129)Xe NMR line shape observed at each pressure is characterized by an axially symmetric chemical shift tensor, implying that this compound has a nanopore with cylindrical symmetry.

author: Ueda, Takahiro, Eguchi, Taro, Nakamura, Nobuo, Wasylishen, Roderick E.
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Grand canonical Monte Carlo simulations of the [.sup.129Xe] NMR line shapes of xenon adsorbed in (plusmn)-[Co(en)3]Cl3

Article Abstract:

The [.sup.129Xe] NMR line shapes of xenon adsorbed in the nanochannels of the (plusmn)-[Co(en)3]Cl3 ionic crystals were calculated by grand canonical Monte Carlo (GCMC) simulations. The nanochannels of (plusmn)-[Co(en)3]Cl3 provided a simple model system that serves as building block toward understanding xenon chemical shifts in more complex porous materials containing transition metals.

author: Ueda, Takahiro, Wasylishen, Roderick E., Sears, Devin N.
Monte Carlo method, Monte Carlo methods, Van der Waals forces

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(super 1)H MAS NMR study of local structure and dynamics of water molecule in plusmn -[Co(en)3]Cl3.nD2O

Article Abstract:

The dependence of the local structure and dynamics of heavy water in plusmn -[Co(en)3]Cl3.nD2O on the dehydration process is studied by examining the line shape of (super 1)H MAS NMR spectrum as a function of the water content and temperature. The well-resolved (super 1)H NMR signal for the hydration water is observed by probing the trace of (super 1)H nucleus contained in heavy water.

author: Ueda, Takahiro, Nakamura, Nobuo
United States, All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Heavy Water, Observations, Molecular dynamics, Structure

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subjects list: Analysis, Nuclear magnetic resonance spectroscopy, Nuclear magnetic resonance, Chemical properties, Xenon
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