Adsorption of hydrogen in Ca-exchanged Na-A zeolites probed by inelastic neutron scattering spectroscopy

Juergen Eckert; Jacqueline M. Nicol; Joseph Howard; Frans R. Trouw

doi:10.1021/jp952982d

Adsorption of hydrogen in Ca-exchanged Na-A zeolites probed by inelastic neutron scattering spectroscopy

Juergen Eckert, Jacqueline M. Nicol, Joseph Howard, Frans R. Trouw

Chemistry and Biochemistry

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Abstract

The hindered rotations and vibrations of molecular hydrogen, deuterium, and deuterium hydride adsorbed into partially and fully Ca ion exchanged Na-A zeolites have been studied at low temperatures with the use of inelastic neutron scattering (INS) techniques. A loading of one molecule per supercage was used in an attempt to avoid multiple site occupancies. Nonetheless, the INS spectra of the rotational transitions of H₂, HD, and D₂ clearly show that physical adsorption occurs on several different sites. Both the CaNa-A and Ca-A samples have strong rotational bands near 6 meV. On this basis, we conclude that the principal adsorption site in CaNa-A is in the vicinity of the Ca²⁺ cation where H₂ experiences a rotational barrier of about 4.3 kJ/mol.

Original language	English
Pages (from-to)	10646-10651
Number of pages	6
Journal	Journal of physical chemistry
Volume	100
Issue number	25
DOIs	https://doi.org/10.1021/jp952982d
State	Published - Jun 20 1996

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title = "Adsorption of hydrogen in Ca-exchanged Na-A zeolites probed by inelastic neutron scattering spectroscopy",

abstract = "The hindered rotations and vibrations of molecular hydrogen, deuterium, and deuterium hydride adsorbed into partially and fully Ca ion exchanged Na-A zeolites have been studied at low temperatures with the use of inelastic neutron scattering (INS) techniques. A loading of one molecule per supercage was used in an attempt to avoid multiple site occupancies. Nonetheless, the INS spectra of the rotational transitions of H2, HD, and D2 clearly show that physical adsorption occurs on several different sites. Both the CaNa-A and Ca-A samples have strong rotational bands near 6 meV. On this basis, we conclude that the principal adsorption site in CaNa-A is in the vicinity of the Ca2+ cation where H2 experiences a rotational barrier of about 4.3 kJ/mol.",

author = "Juergen Eckert and Nicol, {Jacqueline M.} and Joseph Howard and Trouw, {Frans R.}",

year = "1996",

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T1 - Adsorption of hydrogen in Ca-exchanged Na-A zeolites probed by inelastic neutron scattering spectroscopy

AU - Eckert, Juergen

AU - Nicol, Jacqueline M.

AU - Howard, Joseph

AU - Trouw, Frans R.

PY - 1996/6/20

Y1 - 1996/6/20

N2 - The hindered rotations and vibrations of molecular hydrogen, deuterium, and deuterium hydride adsorbed into partially and fully Ca ion exchanged Na-A zeolites have been studied at low temperatures with the use of inelastic neutron scattering (INS) techniques. A loading of one molecule per supercage was used in an attempt to avoid multiple site occupancies. Nonetheless, the INS spectra of the rotational transitions of H2, HD, and D2 clearly show that physical adsorption occurs on several different sites. Both the CaNa-A and Ca-A samples have strong rotational bands near 6 meV. On this basis, we conclude that the principal adsorption site in CaNa-A is in the vicinity of the Ca2+ cation where H2 experiences a rotational barrier of about 4.3 kJ/mol.

AB - The hindered rotations and vibrations of molecular hydrogen, deuterium, and deuterium hydride adsorbed into partially and fully Ca ion exchanged Na-A zeolites have been studied at low temperatures with the use of inelastic neutron scattering (INS) techniques. A loading of one molecule per supercage was used in an attempt to avoid multiple site occupancies. Nonetheless, the INS spectra of the rotational transitions of H2, HD, and D2 clearly show that physical adsorption occurs on several different sites. Both the CaNa-A and Ca-A samples have strong rotational bands near 6 meV. On this basis, we conclude that the principal adsorption site in CaNa-A is in the vicinity of the Ca2+ cation where H2 experiences a rotational barrier of about 4.3 kJ/mol.

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DO - 10.1021/jp952982d

M3 - Article

AN - SCOPUS:0001600659

VL - 100

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EP - 10651

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

SN - 0022-3654

IS - 25

ER -

Adsorption of hydrogen in Ca-exchanged Na-A zeolites probed by inelastic neutron scattering spectroscopy

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