Dihydrogen in zeolite CaX-An inelastic neutron scattering study

A. J. Ramirez-Cuesta; P. C.H. Mitchell; D. K. Ross; P. A. Georgiev; P. A. Anderson; H. W. Langmi; D. Book

doi:10.1016/j.jallcom.2006.12.030

Dihydrogen in zeolite CaX-An inelastic neutron scattering study

A. J. Ramirez-Cuesta
, P. C.H. Mitchell
, D. K. Ross
, P. A. Georgiev
, P. A. Anderson
, H. W. Langmi
, D. Book

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

We report an inelastic neutron scattering (INS) study of the rotational-vibrational spectrum of dihydrogen sorbed by zeolite CaX. In the low energy (<200 cm^-1) INS spectrum of adsorbed H₂ we observe the rotational-vibrational spectrum of H₂, where the vibration is that of the H₂ molecule against the binding site (i.e. H₂-X, not H-H). We have observed for the first time the vibrational overtones of the hydrogen molecule against the adsorption surface up to sixth order. These vibrations are usually forbidden in INS spectroscopy because of the selection rules imposed by the spin flip event required. In our case we are able to observe such a vibration because the rotational transition J(1 ← 0) convolutes the vibrational spectrum. This paper reports the effect for the first time.

Original language	English
Pages (from-to)	393-396
Number of pages	4
Journal	Journal of Alloys and Compounds
Volume	446-447
DOIs	https://doi.org/10.1016/j.jallcom.2006.12.030
State	Published - Oct 31 2007
Externally published	Yes

Funding

CCLRC for awarding neutron beam time; the award of a Leverhulme Emeritus Fellowship (PCHM); Partial funding by the European Commission DG Research (contract SES6-2006-518271/ NESSHY) is gratefully acknowledged by the authors.

Keywords

Hydrogen storage materials
Inelastic neutron scattering spectrocopy
Zeolites

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10.1016/j.jallcom.2006.12.030

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title = "Dihydrogen in zeolite CaX-An inelastic neutron scattering study",

abstract = "We report an inelastic neutron scattering (INS) study of the rotational-vibrational spectrum of dihydrogen sorbed by zeolite CaX. In the low energy (<200 cm-1) INS spectrum of adsorbed H2 we observe the rotational-vibrational spectrum of H2, where the vibration is that of the H2 molecule against the binding site (i.e. H2-X, not H-H). We have observed for the first time the vibrational overtones of the hydrogen molecule against the adsorption surface up to sixth order. These vibrations are usually forbidden in INS spectroscopy because of the selection rules imposed by the spin flip event required. In our case we are able to observe such a vibration because the rotational transition J(1 ← 0) convolutes the vibrational spectrum. This paper reports the effect for the first time.",

keywords = "Hydrogen storage materials, Inelastic neutron scattering spectrocopy, Zeolites",

author = "Ramirez-Cuesta, \{A. J.\} and Mitchell, \{P. C.H.\} and Ross, \{D. K.\} and Georgiev, \{P. A.\} and Anderson, \{P. A.\} and Langmi, \{H. W.\} and D. Book",

year = "2007",

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day = "31",

doi = "10.1016/j.jallcom.2006.12.030",

language = "English",

volume = "446-447",

pages = "393--396",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

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TY - JOUR

T1 - Dihydrogen in zeolite CaX-An inelastic neutron scattering study

AU - Ramirez-Cuesta, A. J.

AU - Mitchell, P. C.H.

AU - Ross, D. K.

AU - Georgiev, P. A.

AU - Anderson, P. A.

AU - Langmi, H. W.

AU - Book, D.

PY - 2007/10/31

Y1 - 2007/10/31

N2 - We report an inelastic neutron scattering (INS) study of the rotational-vibrational spectrum of dihydrogen sorbed by zeolite CaX. In the low energy (<200 cm-1) INS spectrum of adsorbed H2 we observe the rotational-vibrational spectrum of H2, where the vibration is that of the H2 molecule against the binding site (i.e. H2-X, not H-H). We have observed for the first time the vibrational overtones of the hydrogen molecule against the adsorption surface up to sixth order. These vibrations are usually forbidden in INS spectroscopy because of the selection rules imposed by the spin flip event required. In our case we are able to observe such a vibration because the rotational transition J(1 ← 0) convolutes the vibrational spectrum. This paper reports the effect for the first time.

AB - We report an inelastic neutron scattering (INS) study of the rotational-vibrational spectrum of dihydrogen sorbed by zeolite CaX. In the low energy (<200 cm-1) INS spectrum of adsorbed H2 we observe the rotational-vibrational spectrum of H2, where the vibration is that of the H2 molecule against the binding site (i.e. H2-X, not H-H). We have observed for the first time the vibrational overtones of the hydrogen molecule against the adsorption surface up to sixth order. These vibrations are usually forbidden in INS spectroscopy because of the selection rules imposed by the spin flip event required. In our case we are able to observe such a vibration because the rotational transition J(1 ← 0) convolutes the vibrational spectrum. This paper reports the effect for the first time.

KW - Hydrogen storage materials

KW - Inelastic neutron scattering spectrocopy

KW - Zeolites

UR - https://www.scopus.com/pages/publications/35148867891

U2 - 10.1016/j.jallcom.2006.12.030

DO - 10.1016/j.jallcom.2006.12.030

M3 - Article

AN - SCOPUS:35148867891

SN - 0925-8388

VL - 446-447

SP - 393

EP - 396

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

ER -

Dihydrogen in zeolite CaX-An inelastic neutron scattering study

Abstract

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Keywords

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