Characterization of hydrogen bond acceptor molecules at the water surface using near-edge x-ray absorption fine-structure spectroscopy and density functional theory

Kevin R. Wilson, Matteo Cavalleri, Bruce S. Rude, Richard D Schaller, A. Nilsson, L. G M Pettersson, N. Goldman, Tony Catalano, J. D. Bozek, R. J. Saykally

Research output: Contribution to journalArticle

95 Citations (Scopus)

Abstract

Near-edge X-ray absorption fine-structure spectroscopy and density functional theory were used to characterize the hydrogen bond acceptor molecules at the water surface. A new population of interfacial molecules in addition to the single-donor configurations were observed by X-ray absorption. The total-ion-yield (TIY) liquid surface measurements exhibited fully resolved peaks and were observed to be broader and unshifted in energy relative to their gas-phase analogues. The results were in good agreement with the X-ray Raman and total-fluorescence-yield studies of bulk liquid water.

Original languageEnglish
JournalJournal of Physics Condensed Matter
Volume14
Issue number8
DOIs
Publication statusPublished - Mar 4 2002

Fingerprint

surface water
x ray absorption
Density functional theory
Hydrogen bonds
fine structure
Spectroscopy
hydrogen bonds
X ray absorption near edge structure spectroscopy
density functional theory
X rays
Molecules
Water
Surface measurement
X ray absorption
Liquids
spectroscopy
molecules
x rays
Gases
liquid surfaces

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Characterization of hydrogen bond acceptor molecules at the water surface using near-edge x-ray absorption fine-structure spectroscopy and density functional theory. / Wilson, Kevin R.; Cavalleri, Matteo; Rude, Bruce S.; Schaller, Richard D; Nilsson, A.; Pettersson, L. G M; Goldman, N.; Catalano, Tony; Bozek, J. D.; Saykally, R. J.

In: Journal of Physics Condensed Matter, Vol. 14, No. 8, 04.03.2002.

Research output: Contribution to journalArticle

Wilson, Kevin R. ; Cavalleri, Matteo ; Rude, Bruce S. ; Schaller, Richard D ; Nilsson, A. ; Pettersson, L. G M ; Goldman, N. ; Catalano, Tony ; Bozek, J. D. ; Saykally, R. J. / Characterization of hydrogen bond acceptor molecules at the water surface using near-edge x-ray absorption fine-structure spectroscopy and density functional theory. In: Journal of Physics Condensed Matter. 2002 ; Vol. 14, No. 8.
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