A Raman spectral study of amorphous solid water

Venkatesh, C. G.; Rice, Stuart A.; Bates, J.B.

doi:10.1063/1.431447

Cited by 54 publications

(27 citation statements)

References 17 publications

(3 reference statements)

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“…1. The infrared H,O and D,O spectra are from Buontempo (68) and Bertie and Whalley (32) respectively, and the Raman spectra are from Venkatesh et al (29). The spectra of others are in substantial agreement.…”

Section: Amorphous Icesupporting

confidence: 58%

“…The infrared (31,32,37,68,69) and Raman (29,35,70) spectra of amorphous ice have been investigated several times, and typical spectra are reproduced in Fig. 1.…”

Section: Amorphous Icementioning

confidence: 99%

“…The increase in band width is partly due to the variable distortion of the bonds, which causes a variation of the frequencies of the 0-H oscilla7The similarity of the low-frequency permittivities of ice Ih and Ic (67) YFrequencies are at -100 K. bAs resolved using Gaussian line shapes by Venkatesh et a / . (29). The frequencies are somewhat arbitrary because the band is a product of a density of states and an intensity, and there is no reason to assume it is a sum of a limited number of Gaussian bands.…”

Section: Amorphous Icementioning

confidence: 99%

“…These points were made again later (451, and it was emphasized that the observed absorption or scattering intensity is the density of vibrational states multiplied by an absorption or a scattering intensity function. Venkatesh et al (29) found no evidence for 2v, in the Raman spectrum of amorphous ice. Little further progress was made until Wong and Whalley (1) assigned the 3083-cm-I Raman band to the particular group of v, in-phase vibrations in which the molecules move in phase with one another.…”

Section: Introductionmentioning

confidence: 99%

“…This interpretation has been revived (28) recently, but with no greater cogency. Venkatesh et al (29)' have made a related suggestion that the 3370-crn-' Raman band of amorphous ice is due to v, of molecules with bent hydrogen bonds. There appear to be no arguments that strongly support this assignment, but there are two strong arguments against it.…”

Section: Introductionmentioning

confidence: 99%

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A detailed assignment of the O–H stretching bands of ice I

Whalley¹

1977

Can. J. Chem.

197

171

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E. WHALLEY. Can. J. Chem. 55,3429 (1977). A detailed assignment of the infrared and Raman 0-H stretching bands of disordered ice Ih and Ic is proposed. It is based on the assumptions that the spectra of disordered ice Ic are closely related to those of ordered ice Ic, and that the spectra of the as yet unrealized ordered ice Ic can be predicted from the spectra of ice VIII. The supposed similarity between the spectra of ordered and disordered ice Ic is justified by the observed similarity of the spectra of ice VIII and VII, which are respectively ordered and disordered forms of the same structure and are closely related to ordered and disordered ice Ic. The assignment takes into account the intermolecular coupling, which is particularly strong for the v, vibrations but weak for the v,, and the TO-LO splitting, particularly of the v, vibrations, which is shown to be required by the high infrared intensity. The infrared and Raman bands of amorphous ice have been assigned by analogy with the assignments ofice I. E. WHALLEY. Can. J. Chem. 55, 3429 (1977). On propose une attribution detaillee des bandes d'elongation 0 -H en ir et en Raman des glaces desordonnees Ih et Ic. Cette attribution est basee sur l'hypothese que le spectre de la glace desordonnee Ic resemble beaucoup A celle de la glace ordonnee Ic et que le spectre qui n'a pas encore kt6 obtenu pour la glace ordonnee Ic peut 2tre predit A partir du spectre de la glace VIII.Les similarites supposees entre les spectres des glaces Ic ordonnee et dtsordonnee sont justifiees par la similarite observee dans les spectres des glaces VIII et VII qui sont respectivement les formes ordonnees et desordonnees de la mCme structure et sont tres reliees aux glaces Ic ordonnee et desordonnee. L'attribution rend compte du couplage intermoleculaire, qui est particulierement fort pour les vibrations v, mais faible pour v,, et le dedoublement TO-LO, en particulier des vibrations v,, qu'on demontre Ctre necessaire par consequence de la grande intensite du spectre infrarouge. On a attribue les bandes infrarouges et Raman de la glace amorphe par analogie avec les attributions de la glace I.[Traduit par le journal]

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Section: Amorphous Icesupporting

confidence: 58%

“…The infrared (31,32,37,68,69) and Raman (29,35,70) spectra of amorphous ice have been investigated several times, and typical spectra are reproduced in Fig. 1.…”

Section: Amorphous Icementioning

confidence: 99%

Section: Amorphous Icementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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A detailed assignment of the O–H stretching bands of ice I

Whalley¹

1977

Can. J. Chem.

197

171

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Transport and Dynamics in Supercooled Confined Water

Mallamace

Corsaro

Chen

et al. 2013

Liquid Polymorphism

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Bifurcated hydrogen bonds in water

Giguère

1984

J Raman Spectroscopy

101

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A new model is proposed for liquid water, based on recent studies of the Raman spectra as a function of temperature.It features two kinds of hydrogen bonds: in addition to the well known linear hydrogen bonds (LHB), predominant in cold water, there are some bifurcated hydrogen bonds (BHB) between three water molecules. These three-centered bonds, mainly electrostatic, have an average energy of 2.5 kcal mol-', about half of that of the LHB. Their characteristic 0-H stretching frequency is around 3420-3440 cm-', compared with 3220 cm-' for the LHB. In addition, there are a few percent of nearly free OH groups, i.e. non-hydrogen-bonded (NHB), with a stretching frequency of ca 3615 cm-'. Reorientation between these three states occurs through rotation of the H20 molecules about one of their 0-H bonds. Thus, on melting, one third of the hydrogen atoms move out of the tetrahedral framework to occupy interstitial sites in the open 'shafts' characteristic of the ice structure. As in the case of ice, Fermi resonance between the v1 and 2v, levels has little impact on the vibrational spectra of liquid water and ice.The hybrid molecule, HDO, does not form LHB with H 2 0 or D20, hence its simpler spectra. The BHB model can account much better than previous models for the thermodynamic anomalies of water.

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A Raman spectral study of amorphous solid water

Cited by 54 publications

References 17 publications

A detailed assignment of the O–H stretching bands of ice I

A detailed assignment of the O–H stretching bands of ice I

Transport and Dynamics in Supercooled Confined Water

Bifurcated hydrogen bonds in water

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