Vacuum ultraviolet spectroscopy of the lowest-lying electronic state in subcritical and supercritical water [electronic resource]
Chemical Physics;Physical Chemistry.
Saved in:
| Online Access: |
Online Access (via OSTI) |
|---|---|
| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. Office of Basic Energy Sciences ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2017.
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| Subjects: |
MARC
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| 245 | 0 | 0 | |a Vacuum ultraviolet spectroscopy of the lowest-lying electronic state in subcritical and supercritical water |h [electronic resource] |
| 260 | |a Washington, D.C. : |b United States. Department of Energy. Office of Basic Energy Sciences ; |a Oak Ridge, Tenn. : |b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, |c 2017. | ||
| 300 | |a Article No. 15435 : |b digital, PDF file. | ||
| 336 | |a text |b txt |2 rdacontent. | ||
| 337 | |a computer |b c |2 rdamedia. | ||
| 338 | |a online resource |b cr |2 rdacarrier. | ||
| 500 | |a Published through SciTech Connect. | ||
| 500 | |a 05/17/2017. | ||
| 500 | |a "ncomms15435" | ||
| 500 | |a Nature Communications 8 ISSN 2041-1723 AM. | ||
| 500 | |a Timothy W. Marin; Ireneusz Janik; David M. Bartels; Daniel M. Chipman. | ||
| 500 | |a Univ. of Notre Dame, Notre Dame, IN (United States) | ||
| 520 | 3 | |a The nature and extent of hydrogen bonding in water has been scrutinized for decades, including how it manifests in optical properties. Here we report vacuum ultraviolet absorption spectra for the lowest-lying electronic state of subcritical and supercritical water. For subcritical water, the spectrum redshifts considerably with increasing temperature, demonstrating the gradual breakdown of the hydrogen-bond network. Tuning the density at 381°C gives insight into the extent of hydrogen bonding in supercritical water. The known gas-phase spectrum, including its vibronic structure, is duplicated in the low-density limit. With increasing density, the spectrum blueshifts and the vibronic structure is quenched as the water monomer becomes electronically perturbed. Fits to the supercritical water spectra demonstrate consistency with dimer/trimer fractions calculated from the water virial equation of state and equilibrium constants. As a result, using the known water dimer interaction potential, we estimate the critical distance between molecules (ca. 4.5 Å) needed to explain the vibronic structure quenching. | |
| 520 | 0 | |a Chemical Physics;Physical Chemistry. | |
| 536 | |b FC02-04ER15533. | ||
| 650 | 7 | |a Inorganic, Organic, Physical, And Analytical Chemistry. |2 edbsc. | |
| 710 | 1 | |a United States. |b Department of Energy. |b Office of Basic Energy Sciences. |4 spn. | |
| 710 | 1 | |a United States. |b Department of Energy. |b Office of Scientific and Technical Information. |4 dst. | |
| 856 | 4 | 0 | |u http://www.osti.gov/scitech/biblio/1389785 |z Online Access (via OSTI) |
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| 952 | f | f | |p Can circulate |a University of Colorado Boulder |b Online |c Online |d Online |e E 1.99:1389785 |h Superintendent of Documents classification |i web |n 1 |