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Probing the stiffness of the simplest double hydrogen bond: The symmetric hydrogen bond modes of jet-cooled formic acid dimer

dc.contributor.authorXue, Z.
dc.contributor.authorSuhm, M. A.
dc.date.accessioned2011-03-08T13:28:58Z
dc.date.available2011-03-08T13:28:58Z
dc.date.issued2009
dc.identifier.urihttp://resolver.sub.uni-goettingen.de/purl?gs-1/5940
dc.description.abstractFormic acid dimer is held together and kept planar by two strong hydrogen bonds, which give rise to intermolecular vibrations. Raman active fundamentals, overtones, and combination bands involving out-of-plane bending and stretching vibrations of the hydrogen bonds are recorded under jet-cooled, vacuum-isolated conditions between 100 and 750 cm−1 and assigned with the help of isotope substitution. Individual anharmonicity effects are shown to be very small xi,j =− 1 2 cm−1 , where they are accessible by experiment. However, they may accumulate to substantial differences between harmonic and anharmonic fundamental excitations. Preliminary experimental evidence for the most elusive fundamental vibration of formic acid dimer, symmetric OH torsion, is presented. A rigorous experimental reference frame for existing and future high level quantum chemical and dynamical treatments of this important prototype system is provided. The effects of clustering beyond the dimer on the low frequency dynamics are found to be small, whereas argon coating gives rise to blueshifts. © 2009 American Institute of Physics.
dc.format.extent14
dc.language.isoeng
dc.rightsopenAccess
dc.rights.urihttp://goedoc.uni-goettingen.de/goescholar/License_Goedoc_2009_03.txt
dc.subjectHydrogen bond
dc.subject.ddc540
dc.titleProbing the stiffness of the simplest double hydrogen bond: The symmetric hydrogen bond modes of jet-cooled formic acid dimer
dc.typejournalArticle
dc.identifier.doi10.1063/1.3191728
dc.type.versionpublishedVersion
dc.bibliographicCitation.volume131
dc.type.subtypejournalArticle
dc.bibliographicCitation.articlenumber054301
dc.bibliographicCitation.articlenumber054301
dc.description.statuspeerReviewed
dc.bibliographicCitation.journalTHE JOURNAL OF CHEMICAL PHYSICS


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