Literature DB >> 33602972

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

Viktoriia Savchenko1,2,3, Iulia Emilia Brumboiu4,5, Victor Kimberg6,7,8, Michael Odelius9, Pavel Krasnov10,11, Ji-Cai Liu12, Jan-Erik Rubensson13, Olle Björneholm13, Conny Såthe14, Johan Gråsjö13,15, Minjie Dong13, Annette Pietzsch16, Alexander Föhlisch16,17, Thorsten Schmitt18, Daniel McNally18, Xingye Lu18, Sergey P Polyutov10,11, Patrick Norman4, Marcella Iannuzzi19, Faris Gel'mukhanov4,10,11, Victor Ekholm13,14.   

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.

Entities:  

Year:  2021        PMID: 33602972      PMCID: PMC7893077          DOI: 10.1038/s41598-021-83248-3

Source DB:  PubMed          Journal:  Sci Rep        ISSN: 2045-2322            Impact factor:   4.379


  16 in total

1.  Resonant inelastic scattering spectra of free molecules with vibrational resolution.

Authors:  Franz Hennies; Annette Pietzsch; Martin Berglund; Alexander Föhlisch; Thorsten Schmitt; Vladimir Strocov; Hans O Karlsson; Joakim Andersson; Jan-Erik Rubensson
Journal:  Phys Rev Lett       Date:  2010-05-14       Impact factor: 9.161

2.  Selective observation of the two oxygen atoms at different sites in the carboxyl group (-COOH) of liquid acetic acid.

Authors:  Takashi Tokushima; Yuka Horikawa; Yoshihisa Harada; Osamu Takahashi; Atsunari Hiraya; Shik Shin
Journal:  Phys Chem Chem Phys       Date:  2009-02-02       Impact factor: 3.676

3.  Analysis and comparison of CVS-ADC approaches up to third order for the calculation of core-excited states.

Authors:  Jan Wenzel; Andre Holzer; Michael Wormit; Andreas Dreuw
Journal:  J Chem Phys       Date:  2015-06-07       Impact factor: 3.488

4.  Snapshots of the fluctuating hydrogen bond network in liquid water on the sub-femtosecond timescale with vibrational resonant inelastic x-ray scattering.

Authors:  A Pietzsch; F Hennies; P S Miedema; B Kennedy; J Schlappa; T Schmitt; V N Strocov; A Föhlisch
Journal:  Phys Rev Lett       Date:  2015-02-24       Impact factor: 9.161

5.  Temperature dependence of the dielectric permittivity of acetic acid, propionic acid and their methyl esters: a molecular dynamics simulation study.

Authors:  Sereina Riniker; Bruno A C Horta; Bram Thijssen; Saumya Gupta; Wilfred F van Gunsteren; Philippe H Hünenberger
Journal:  Chemphyschem       Date:  2012-03-01       Impact factor: 3.102

6.  Formic and acetic acid aggregation in the liquid state.

Authors:  Silvia Imberti; Daniel T Bowron
Journal:  J Phys Condens Matter       Date:  2010-09-22       Impact factor: 2.333

7.  Theoretical Study of Acetic Acid Association Based on Hydrogen Bonding Mechanism.

Authors:  Minhua Zhang; Lihang Chen; Huaming Yang; Jing Ma
Journal:  J Phys Chem A       Date:  2017-06-05       Impact factor: 2.781

8.  Isotope and temperature effects in liquid water probed by x-ray absorption and resonant x-ray emission spectroscopy.

Authors:  O Fuchs; M Zharnikov; L Weinhardt; M Blum; M Weigand; Y Zubavichus; M Bär; F Maier; J D Denlinger; C Heske; M Grunze; E Umbach
Journal:  Phys Rev Lett       Date:  2008-01-16       Impact factor: 9.161

9.  Selective gating to vibrational modes through resonant X-ray scattering.

Authors:  Rafael C Couto; Vinícius V Cruz; Emelie Ertan; Sebastian Eckert; Mattis Fondell; Marcus Dantz; Brian Kennedy; Thorsten Schmitt; Annette Pietzsch; Freddy F Guimarães; Hans Ågren; Faris Gel'mukhanov; Michael Odelius; Victor Kimberg; Alexander Föhlisch
Journal:  Nat Commun       Date:  2017-01-20       Impact factor: 14.919

Review 10.  The structural origin of anomalous properties of liquid water.

Authors:  Anders Nilsson; Lars G M Pettersson
Journal:  Nat Commun       Date:  2015-12-08       Impact factor: 14.919

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  1 in total

1.  The meV XUV-RIXS facility at UE112-PGM1 of BESSY II.

Authors:  Karl Bauer; Jan Simon Schmidt; Frank Eggenstein; Régis Decker; Kari Ruotsalainen; Annette Pietzsch; Thomas Blume; Chun Yu Liu; Christian Weniger; Frank Siewert; Jana Buchheim; Grzegorz Gwalt; Friedmar Senf; Peter Bischoff; Lisa Schwarz; Klaus Effland; Matthias Mast; Thomas Zeschke; Ivo Rudolph; Andreas Meißner; Alexander Föhlisch
Journal:  J Synchrotron Radiat       Date:  2022-04-26       Impact factor: 2.557

  1 in total

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