Infrared overtone spectroscopy of adsorbed hydrogen in MOF-5

Title:
Infrared overtone spectroscopy of adsorbed hydrogen in MOF-5
Authors:
FitzGerald, Stephen; Nelson, Jocienne N.; Gilmour, Elizabeth; Rowsell, Jesse L. C.
Abstract:
Overtone spectroscopy is used to observe the rovibrational spectra of the hydrogen isotopologues H2, HD, and D2 adsorbed in the metal–organic framework known as MOF-5. It is shown that the overtone spectrum facilitates the identification of hydrogen modes which are obscured in the fundamental region by the presence of MOF-5 features. Further, the overtone spectrum of H2 at the primary adsorption site is greatly enhanced relative to other sites, and thus ambiguities about feature assignment can be avoided. The frequency (wavenumber) of the overtone modes are in good agreement with a Buckingham perturbative model while the relative intensity of the Q2Q2(0) pure vibrational mode is found to be anomalously large, most likely arising through mode coupling to the MOF-5 framework.
Citation:
FitzGerald, S.A., J.N. Nelson, E. Gilmour, and J.L.C. Rowsell. 2014. “Infrared overtone spectroscopy of adsorbed hydrogen in MOF-5.” Journal of Molecular Spectroscopy 307: 20-26.
Publisher:
Elsevier
DATE ISSUED:
2014-01
Department:
Physics and Astronomy
Type:
Article
PUBLISHED VERSION:
10.1016/j.jms.2014.11.001
PERMANENT LINK:
http://hdl.handle.net/11282/566945

Full metadata record

DC FieldValue Language
dc.contributor.authorFitzGerald, Stephenen
dc.contributor.authorNelson, Jocienne N.en
dc.contributor.authorGilmour, Elizabethen
dc.contributor.authorRowsell, Jesse L. C.en
dc.date.accessioned2015-08-13T10:37:31Zen
dc.date.available2015-08-13T10:37:31Zen
dc.date.issued2014-01en
dc.identifier.citationFitzGerald, S.A., J.N. Nelson, E. Gilmour, and J.L.C. Rowsell. 2014. “Infrared overtone spectroscopy of adsorbed hydrogen in MOF-5.” Journal of Molecular Spectroscopy 307: 20-26.en
dc.identifier.issn0022-2852en
dc.identifier.urihttp://hdl.handle.net/11282/566945en
dc.description.abstractOvertone spectroscopy is used to observe the rovibrational spectra of the hydrogen isotopologues H2, HD, and D2 adsorbed in the metal–organic framework known as MOF-5. It is shown that the overtone spectrum facilitates the identification of hydrogen modes which are obscured in the fundamental region by the presence of MOF-5 features. Further, the overtone spectrum of H2 at the primary adsorption site is greatly enhanced relative to other sites, and thus ambiguities about feature assignment can be avoided. The frequency (wavenumber) of the overtone modes are in good agreement with a Buckingham perturbative model while the relative intensity of the Q2Q2(0) pure vibrational mode is found to be anomalously large, most likely arising through mode coupling to the MOF-5 framework.en
dc.language.isoen_USen
dc.publisherElsevieren
dc.identifier.doi10.1016/j.jms.2014.11.001en
dc.subject.departmentPhysics and Astronomyen
dc.titleInfrared overtone spectroscopy of adsorbed hydrogen in MOF-5en
dc.typeArticleen
dc.identifier.journalJournal of Molecular Spectroscopyen
dc.subject.keywordInfrareden
dc.subject.keywordOvertoneen
dc.subject.keywordSpectroscopyen
dc.subject.keywordHydrogen storageen
dc.subject.keywordMetal-organic frameworksen
dc.subject.keywordMOF-5en
dc.subject.keywordMode couplingen
dc.identifier.volume307en
dc.identifier.startpage20en
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