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Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer. / Kollipost, F.; Larsen, René Wugt; Domanskaya, A.V.; Nörenberg, M.; Suhm, M.A.

In: Journal of Chemical Physics, Vol. 136, 2012, p. 151101.

Publication: Research - peer-reviewJournal article – Annual report year: 2012

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Kollipost, F.; Larsen, René Wugt; Domanskaya, A.V.; Nörenberg, M.; Suhm, M.A. / Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer.

In: Journal of Chemical Physics, Vol. 136, 2012, p. 151101.

Publication: Research - peer-reviewJournal article – Annual report year: 2012

Bibtex

@article{f6541bc674c0487e92b60f6da20e443b,
title = "Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer",
author = "F. Kollipost and Larsen, {René Wugt} and A.V. Domanskaya and M. Nörenberg and M.A. Suhm",
note = "© 2012 American Institute of Physics.",
year = "2012",
doi = "10.1063/1.4704827",
volume = "136",
pages = "151101",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",

}

RIS

TY - JOUR

T1 - Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer

AU - Kollipost,F.

AU - Larsen,René Wugt

AU - Domanskaya,A.V.

AU - Nörenberg,M.

AU - Suhm,M.A.

N1 - © 2012 American Institute of Physics.

PY - 2012

Y1 - 2012

N2 - The highest frequency hydrogen bond fundamental of formic acid dimer, ν24 (Bu), is experimentally located at 264 cm−1. FTIR spectra of this in-plane bending mode of (HCOOH)2 and band centers of its symmetric D isotopologues (isotopomers) recorded in a supersonic slit jet expansion are presented. Comparison to earlier studies at room temperature reveals the large influence of thermal excitation on the band maximum. Together with three Bu combination states involving hydrogen bond fundamentals and with recent progress for the Raman-active modes, this brings into reach an accurate statistical thermodynamics treatment of the dimerization process up to room temperature. We obtain D0 = 59.5(5) kJ/mol as the best experimental estimate for the dimer dissociation energy at 0 K. Further improvements have to wait for a more consistent determination of the room temperature equilibrium constant.

AB - The highest frequency hydrogen bond fundamental of formic acid dimer, ν24 (Bu), is experimentally located at 264 cm−1. FTIR spectra of this in-plane bending mode of (HCOOH)2 and band centers of its symmetric D isotopologues (isotopomers) recorded in a supersonic slit jet expansion are presented. Comparison to earlier studies at room temperature reveals the large influence of thermal excitation on the band maximum. Together with three Bu combination states involving hydrogen bond fundamentals and with recent progress for the Raman-active modes, this brings into reach an accurate statistical thermodynamics treatment of the dimerization process up to room temperature. We obtain D0 = 59.5(5) kJ/mol as the best experimental estimate for the dimer dissociation energy at 0 K. Further improvements have to wait for a more consistent determination of the room temperature equilibrium constant.

U2 - 10.1063/1.4704827

DO - 10.1063/1.4704827

M3 - Journal article

VL - 136

SP - 151101

JO - Journal of Chemical Physics

T2 - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

ER -