Infrared overtone spectroscopy of adsorbed hydrogen in MOF-5

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.

Publisher

Elsevier

Publication Date

1-1-2014

Publication Title

Journal of Molecular Spectroscopy

Department

Physics and Astronomy

Additional Department

Chemistry and Biochemistry

Document Type

Article

DOI

https://dx.doi.org/10.1016/j.jms.2014.11.001

Notes

Stephen FitzGerald, Physics and Astronomy
Jess L.C. Rowsell, Chemistry and Biochemistry

Keywords

Infrared, Overtone, Spectroscopy, Hydrogen storage, Metal-organic frameworks, MOF-5, Mode coupling

Language

English

Format

text

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