Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer
| Autor: | A.V. Domanskaya, M. Nörenberg, Franz Kollipost, R. Wugt Larsen, Martin A. Suhm |
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| Jazyk: | angličtina |
| Rok vydání: | 2012 |
| Předmět: |
010304 chemical physics
Formic acid Hydrogen bond Dimer General Physics and Astronomy 010402 general chemistry Photochemistry 7. Clean energy 01 natural sciences Bond-dissociation energy 0104 chemical sciences chemistry.chemical_compound chemistry Excited state 0103 physical sciences Kinetic isotope effect Physical chemistry Physical and Theoretical Chemistry Chemical equilibrium Equilibrium constant |
| Zdroj: | Kollipost, F, Larsen, R W, Domanskaya, A V, Nörenberg, M & Suhm, M A 2012, ' Communication: The highest frequency hydrogen bond vibration and an experimental value for the dissociation energy of formic acid dimer ', Journal of Chemical Physics, vol. 136, pp. 151101 . https://doi.org/10.1063/1.4704827 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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