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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",
publisher = "American Institute of Physics",
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",

}

RIS

TY - JOUR

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

A1 - Kollipost,F.

A1 - Larsen,René Wugt

A1 - Domanskaya,A.V.

A1 - Nörenberg,M.

A1 - Suhm,M.A.

AU - Kollipost,F.

AU - Larsen,René Wugt

AU - Domanskaya,A.V.

AU - Nörenberg,M.

AU - Suhm,M.A.

PB - American Institute of Physics

PY - 2012

Y1 - 2012

N2 - <p>The highest frequency hydrogen bond fundamental of formic acid dimer, ν<sub>24</sub> (B<sub>u</sub>), is experimentally located at 264 cm<sup>−1</sup>. 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 B<sub>u</sub> 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 D<sub>0</sub> = 59.5(5) kJ/mol as the best experimental estimate for the dimer dissociation energy at <br/> 0 K. Further improvements have to wait for a more consistent determination of the room temperature equilibrium constant.</p>

AB - <p>The highest frequency hydrogen bond fundamental of formic acid dimer, ν<sub>24</sub> (B<sub>u</sub>), is experimentally located at 264 cm<sup>−1</sup>. 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 B<sub>u</sub> 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 D<sub>0</sub> = 59.5(5) kJ/mol as the best experimental estimate for the dimer dissociation energy at <br/> 0 K. Further improvements have to wait for a more consistent determination of the room temperature equilibrium constant.</p>

UR - http://jcp.aip.org.globalproxy.cvt.dk/resource/1/jcpsa6/v136/i15/p151101_s1

U2 - 10.1063/1.4704827

DO - 10.1063/1.4704827

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

VL - 136

SP - 151101

ER -