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Vibrational resonant inelastic X-ray scattering in liquid acetic acid : a ruler for molecular chain lengths

Savchenko, Viktoriia ; Brumboiu, Iulia Emilia ; Kimberg, Victor ; Odelius, Michael ; Krasnov, Pavel ; Liu, Ji Cai ; Rubensson, Jan Erik ; Björneholm, Olle LU ; Såthe, Conny LU and Gråsjö, Johan , et al. (2021) In Scientific Reports 11(1).
Abstract

Quenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Scientific Reports
volume
11
issue
1
article number
4098
publisher
Nature Publishing Group
external identifiers
  • pmid:33602972
  • scopus:85101208001
ISSN
2045-2322
DOI
10.1038/s41598-021-83248-3
language
English
LU publication?
yes
id
83b8f782-fc17-4e58-80a0-5f88e5f7bc1d
date added to LUP
2021-03-08 10:21:30
date last changed
2024-06-13 08:05:01
@article{83b8f782-fc17-4e58-80a0-5f88e5f7bc1d,
  abstract     = {{<p>Quenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.</p>}},
  author       = {{Savchenko, Viktoriia and Brumboiu, Iulia Emilia and Kimberg, Victor and Odelius, Michael and Krasnov, Pavel and Liu, Ji Cai and Rubensson, Jan Erik and Björneholm, Olle and Såthe, Conny and Gråsjö, Johan and Dong, Minjie and Pietzsch, Annette and Föhlisch, Alexander and Schmitt, Thorsten and McNally, Daniel and Lu, Xingye and Polyutov, Sergey P. and Norman, Patrick and Iannuzzi, Marcella and Gel’mukhanov, Faris and Ekholm, Victor}},
  issn         = {{2045-2322}},
  language     = {{eng}},
  number       = {{1}},
  publisher    = {{Nature Publishing Group}},
  series       = {{Scientific Reports}},
  title        = {{Vibrational resonant inelastic X-ray scattering in liquid acetic acid : a ruler for molecular chain lengths}},
  url          = {{http://dx.doi.org/10.1038/s41598-021-83248-3}},
  doi          = {{10.1038/s41598-021-83248-3}},
  volume       = {{11}},
  year         = {{2021}},
}