Optical Spectra of Hexagonal Ice

Seki, M.; Kobayashi, Koichi; Nakahara, Jun

doi:10.1143/jpsj.50.2643

Cited by 59 publications

(46 citation statements)

References 15 publications

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“…Note that the relative absorbance of each spectrum has been normalized to account for the differences in density (concentration) when calculating the molar extinction coefficient, e. The room-temperature spectrum acquired at 23°C shows a peak at 8.46 eV with e ¼ 1,590 M À 1 cm À 1 . We note that the extinction coefficient confirms values from previous work 18 , however the peak energy is observed to be Comparison of absorption spectra from the literature showing the lowest-lying electronic transition in the vacuum ultraviolet for gas-phase (red line) 17 and liquid phase (black line) 18 water, and for water ice (blue line) 36 . Note the considerable blueshift in the condensed-phase spectra, attributed to extensive H-bond coordination lowering the ground-state energy, and introducing solvation, Rydbergization, Pauli repulsion and excitonic effects on the excited state.…”

Section: Resultssupporting

confidence: 87%

Vacuum Ultraviolet Spectroscopy of the Lowest-Lying Electronic State in Sub-Critical and Supercritical Water

Marin¹,

Bartels²,

Janik³

2016

Proceedings of the 71st International Symposium on Molecular Spectroscopy

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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. 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.

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Section: Resultssupporting

confidence: 87%

Vacuum Ultraviolet Spectroscopy of the Lowest-Lying Electronic State in Sub-Critical and Supercritical Water

Marin¹,

Bartels²,

Janik³

2016

Proceedings of the 71st International Symposium on Molecular Spectroscopy

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“…The ubiquitous influence of long-ranged van der Waals interactions manipulates the melting behavior and, as described above, their detailed influence at the surface of ice is rather rich, often requiring a complete frequency-dependent treatment ͑Dzyaloshinskii et Ketcham and Hobbs, 1969;Daniels, 1971;Knight, 1971;Seki et al, 1981;Elbaum and Schick, 1991;Wilen et al, 1995;Benatov and Wettlaufer, 2004͒. Ostensibly the same physical phenomena underlie Derjaguin-Landau-Verwey-Overbeek ͑DLVO͒ theory, which assesses the competition between the screened Coulomb and attractive van der Waals interactions ͑Der-jaguin and Landau, 1941; Verwey and Overbeek, 1948͒.…”

Section: Impuritiesmentioning

confidence: 99%

The physics of premelted ice and its geophysical consequences

2006

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The surface of ice exhibits the swath of phase-transition phenomena common to all materials and as such it acts as an ideal test bed of both theory and experiment. It is readily available, transparent, optically birefringent, and probing it in the laboratory does not require cryogenics or ultrahigh vacuum apparatus. Systematic study reveals the range of critical phenomena, equilibrium and nonequilibrium phase-transitions, and, most relevant to this review, premelting, that are traditionally studied in more simply bound solids. While this makes investigation of ice as a material appealing from the perspective of the physicist, its ubiquity and importance in the natural environment also make ice compelling to a broad range of disciplines in the Earth and planetary sciences. In this review we describe the physics of the premelting of ice and its relationship with the behavior of other materials more familiar to the condensed-matter community. A number of the many tendrils of the basic phenomena as they play out on land, in the oceans, and throughout the atmosphere and biosphere are developed.

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“…In the photolysis of amorphous solid water ͑ASW͒ at the vacuum ultraviolet ͑vuv͒ region, the penetration depths are ϳ100 and ϳ35 nm for the first band at = 157 and 140 nm, respectively, and ϳ50 nm for the second band at = 122 nm. 9 Various photoproducts were detected in and on ice at 10 K. 10 The main photoproducts, OH, H 2 O 2 , and HO 2 , were the primary and secondary photoproducts of reaction ͑2͒. In the condensed phase photolysis, not only the primary unimolecular reactions but also the secondary reactions would be the sources of photoproducts.…”

Section: H 2 O + H → H + Oh ͑2͒mentioning

confidence: 99%

Formation mechanisms of oxygen atoms in the O(D21) state from the 157nm photoirradiation of amorphous water ice at 90K

Hama

Yabushita

Yokoyama

et al. 2009

The Journal of Chemical Physics

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Vacuum ultraviolet photolysis of water ice in the first absorption band was studied at 157 nm. Translational and internal energy distributions of the desorbed species, O͑ 1 D͒ and OH͑v =0,1͒, were directly measured with resonance-enhanced multiphoton ionization method. Two different mechanisms are discussed for desorption of electronically excited O͑ 1 D͒ atoms from the ice surface. One is unimolecular dissociation of H 2 O to H 2 +O͑ 1 D͒ as a primary photoprocess. The other is the surface recombination reaction of hot OH radicals that are produced from photodissociation of hydrogen peroxide as a secondary photoprocess. H 2 O 2 is one of the major photoproducts in the vacuum ultraviolet photolysis of water ice.

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Optical Spectra of Hexagonal Ice

Cited by 59 publications

References 15 publications

Vacuum Ultraviolet Spectroscopy of the Lowest-Lying Electronic State in Sub-Critical and Supercritical Water

Vacuum Ultraviolet Spectroscopy of the Lowest-Lying Electronic State in Sub-Critical and Supercritical Water

The physics of premelted ice and its geophysical consequences

Formation mechanisms of oxygen atoms in the O(D21) state from the 157nm photoirradiation of amorphous water ice at 90K

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