Vibrational tuning of the Hydrogen transfer in malonaldehyde - a combined FTIR and Raman jet study

Tunnelling splittings in vibrationally excited malonaldehyde are derived from complementary FTIR and Raman spectra utilising jet cooling and matrix isolation. Values from 0 to 69 cm −1 (i.e. from complete quenching of the proton tunnelling to an acceleration by a factor of 3) are firmly assigned, un...

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Bibliographic Details
Published inMolecular physics Vol. 111; no. 14-15; pp. 2211 - 2227
Main Authors Lüttschwager, Nils O.B., Wassermann, Tobias N., Coussan, Stéphane, Suhm, Martin A.
Format Journal Article
LanguageEnglish
Published Abingdon Taylor & Francis 01.08.2013
Taylor & Francis Ltd
Subjects
infrared spectroscopy
proton transfer
Protons
Raman scattering
Spectrum analysis
tunnelling splittings
vibrational dynamics
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Summary:Tunnelling splittings in vibrationally excited malonaldehyde are derived from complementary FTIR and Raman spectra utilising jet cooling and matrix isolation. Values from 0 to 69 cm −1 (i.e. from complete quenching of the proton tunnelling to an acceleration by a factor of 3) are firmly assigned, underscoring a strong coupling between hydrogen transfer and vibrational excitation. More tentative assignments involve even larger effects for the O⋅⋅⋅O breathing vibration. The results are discussed with respect to the corresponding normal modes and compared to previous theoretical predictions.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268976.2013.798042