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

doi:10.1088/0953-8984/14/8/107

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^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

105 Scopus citations

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 language	English (US)
Pages (from-to)	L221-L226
Journal	Journal of Physics Condensed Matter
Volume	14
Issue number	8
DOIs	https://doi.org/10.1088/0953-8984/14/8/107
State	Published - Mar 4 2002

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics

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Wilson, K. R., Cavalleri, M., Rude, B. S., Schaller, R. D., Nilsson, A., Pettersson, L. G. M., Goldman, N., Catalano, T., Bozek, J. D., & Saykally, R. J. (2002). Characterization of hydrogen bond acceptor molecules at the water surface using near-edge x-ray absorption fine-structure spectroscopy and density functional theory. Journal of Physics Condensed Matter, 14(8), L221-L226. https://doi.org/10.1088/0953-8984/14/8/107

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

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.",

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

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doi = "10.1088/0953-8984/14/8/107",

language = "English (US)",

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Wilson, KR, Cavalleri, M, Rude, BS, Schaller, RD, Nilsson, A, Pettersson, LGM, Goldman, N, Catalano, T, Bozek, JD & Saykally, RJ 2002, 'Characterization of hydrogen bond acceptor molecules at the water surface using near-edge x-ray absorption fine-structure spectroscopy and density functional theory', Journal of Physics Condensed Matter, vol. 14, no. 8, pp. L221-L226. https://doi.org/10.1088/0953-8984/14/8/107

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. et al.
In: Journal of Physics Condensed Matter, Vol. 14, No. 8, 04.03.2002, p. L221-L226.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Characterization of hydrogen bond acceptor molecules at the water surface using near-edge x-ray absorption fine-structure spectroscopy and density functional theory

AU - Wilson, Kevin R.

AU - Cavalleri, Matteo

AU - Rude, Bruce S.

AU - Schaller, Richard D.

AU - Nilsson, A.

AU - Pettersson, L. G M

AU - Goldman, N.

AU - Catalano, Tony

AU - Bozek, J. D.

AU - Saykally, R. J.

PY - 2002/3/4

Y1 - 2002/3/4

N2 - 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.

AB - 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.

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

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