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Selective Probing o...
Selective Probing of the OH or OD Stretch Vibration in Liquid Water Using Resonant Inelastic Soft-X-Ray Scattering
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Harada, Yoshihisa (author)
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Tokushima, Takashi (author)
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Horikawa, Yuka (author)
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Takahashi, Osamu (author)
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Niwa, Hideharu (author)
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Kobayashi, Masaki (author)
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Oshima, Masaharu (author)
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Senba, Yasunori (author)
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Ohashi, Haruhiko (author)
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Wikfeldt, Kjartan Thor (author)
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- Nilsson, Anders (author)
- Stockholms universitet,Fysikum,SUNCAT Center for Interface Science and Catalysis, USA
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- Pettersson, Lars G. M. (author)
- Stockholms universitet,Fysikum
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Shin, Shik (author)
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(creator_code:org_t)
- 2013
- 2013
- English.
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In: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 111:19, s. 193001-
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- High-resolution O 1s resonant inelastic x-ray scattering spectra of liquid H2O, D2O, and HDO, obtained by excitation near the preedge resonance show, in the elastic line region, well-separated multiple vibrational structures corresponding to the internal OH stretch vibration in the ground state of water. The energy of the first-order vibrational excitation is strongly blueshifted with respect to the main band in the infrared or Raman spectra of water, indicating that water molecules with a highly weakened or broken donating hydrogen bond are correlated with the preedge structure in the x-ray absorption spectrum. The vibrational profile of preedge excited HDO water is well fitted with 50% +/- 20% greater OH-stretch contribution compared to OD, which strongly supports a preference for OH being the weakened or broken H-bond in agreement with the well-known picture that D2O makes stronger H-bonds than H2O. Accompanying path-integral molecular dynamics simulations show that this is particularly the case for strongly asymmetrically H-bonded molecules, i.e., those that are selected by preedge excitation.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Harada, Yoshihis ...
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Tokushima, Takas ...
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Horikawa, Yuka
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Takahashi, Osamu
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Niwa, Hideharu
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Kobayashi, Masak ...
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show more...
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Oshima, Masaharu
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Senba, Yasunori
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Ohashi, Haruhiko
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Wikfeldt, Kjarta ...
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Nilsson, Anders
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Pettersson, Lars ...
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Shin, Shik
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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Physical Review ...
- By the university
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Stockholm University