X-ray absorption spectroscopy of liquid methanol microjets: Bulk electronic structure and hydrogen bonding network

Kevin R. Wilson; Matteo Cavalleri; Bruce S. Rude; R. D. Schaller; T. Catalano; A. Nilsson; R. J. Saykally; L. G M Pettersson

doi:10.1021/jp049278u

X-ray absorption spectroscopy of liquid methanol microjets: Bulk electronic structure and hydrogen bonding network

Kevin R. Wilson, Matteo Cavalleri, Bruce S. Rude, R. D. Schaller, T. Catalano, A. Nilsson, R. J. Saykally^*, L. G M Pettersson

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article

67 Scopus citations

Abstract

We have measured the X-ray absorption (XA) spectrum of liquid (298 K) methanol at the oxygen and carbon K edges. The 4a ₁ orbital at the O K edge exhibits a pronounced sensitivity to the formation of intermolecular hydrogen bonds, with significant differences observed between the vapor and bulk spectra, whereas the C K edge reveals only subtle corresponding spectral changes. Comparison with DFT computed spectra of model methanol clusters indicates that the bulk liquid comprises long chains (n > 6) and rings of hydrogen-bonded monomers.

Original language	English (US)
Pages (from-to)	10194-10203
Number of pages	10
Journal	Journal of Physical Chemistry B
Volume	109
Issue number	20
DOIs	https://doi.org/10.1021/jp049278u
State	Published - May 26 2005

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

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Wilson, K. R., Cavalleri, M., Rude, B. S., Schaller, R. D., Catalano, T., Nilsson, A., Saykally, R. J., & Pettersson, L. G. M. (2005). X-ray absorption spectroscopy of liquid methanol microjets: Bulk electronic structure and hydrogen bonding network. Journal of Physical Chemistry B, 109(20), 10194-10203. https://doi.org/10.1021/jp049278u

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title = "X-ray absorption spectroscopy of liquid methanol microjets: Bulk electronic structure and hydrogen bonding network",

abstract = "We have measured the X-ray absorption (XA) spectrum of liquid (298 K) methanol at the oxygen and carbon K edges. The 4a 1 orbital at the O K edge exhibits a pronounced sensitivity to the formation of intermolecular hydrogen bonds, with significant differences observed between the vapor and bulk spectra, whereas the C K edge reveals only subtle corresponding spectral changes. Comparison with DFT computed spectra of model methanol clusters indicates that the bulk liquid comprises long chains (n > 6) and rings of hydrogen-bonded monomers.",

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

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month = may,

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doi = "10.1021/jp049278u",

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X-ray absorption spectroscopy of liquid methanol microjets : Bulk electronic structure and hydrogen bonding network. / Wilson, Kevin R.; Cavalleri, Matteo; Rude, Bruce S.; Schaller, R. D.; Catalano, T.; Nilsson, A.; Saykally, R. J.; Pettersson, L. G M.

In: Journal of Physical Chemistry B, Vol. 109, No. 20, 26.05.2005, p. 10194-10203.

Research output: Contribution to journal › Article

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T1 - X-ray absorption spectroscopy of liquid methanol microjets

T2 - Bulk electronic structure and hydrogen bonding network

AU - Wilson, Kevin R.

AU - Cavalleri, Matteo

AU - Rude, Bruce S.

AU - Schaller, R. D.

AU - Catalano, T.

AU - Nilsson, A.

AU - Saykally, R. J.

AU - Pettersson, L. G M

PY - 2005/5/26

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