Savchenko Viktoriia, Brumboiu Iulia Emilia, Kimberg Victor, Odelius Michael, Krasnov Pavel, Liu Ji-Cai, Rubensson Jan-Erik, Björneholm Olle, Såthe Conny, Gråsjö Johan, Dong Minjie, Pietzsch Annette, Föhlisch Alexander, Schmitt Thorsten, McNally Daniel, Lu Xingye, Polyutov Sergey P, Norman Patrick, Iannuzzi Marcella, Gel'mukhanov Faris, Ekholm Victor
Department of Theoretical Chemistry and Biology, KTH Royal Institute of Technology, 10691, Stockholm, Sweden.
International Research Center of Spectroscopy and Quantum Chemistry-IRC SQC, Siberian Federal University, Krasnoyarsk, Russia, 660041.
Sci Rep. 2021 Feb 18;11(1):4098. doi: 10.1038/s41598-021-83248-3.
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.
在液态乙酸的共振非弹性X射线散射（RIXS）光谱中观察到振动激发的猝灭。在与O-H键处的局域激发相关的氧核共振处，光谱缺乏在可比系统的RIXS光谱中观察到的典型振动激发进程。我们将此现象解释为由于氢键作用导致未占据分子轨道的强烈重新杂化，然而这在X射线吸收中无法观察到，只能通过RIXS来观察。这使我们能够研究液体的分子结构，并确定平均分子链长度的下限。
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