Structure and Phase Transition in Solid Hydrogen and Deuterium Sulphides

Sándor, E.; Ogunade, S. O.

doi:10.1038/224905b0

Cited by 50 publications

(30 citation statements)

References 20 publications

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“…These numbers are lower than the corresponding ones for phase IT1 for solid H2S,12 which has a large tetragonal cell containing 16 molecules. 6 A four-molecule unit cell would give a maximum of nine translations, twelve librations, four bending and eight stretching components. Normally, not all of these would be optically active and, of course, some may escape spectroscopic detection because of limited sensitivity and resolution.…”

Section: Discussionmentioning

confidence: 99%

“…It is known from specific heat measurements1*2 that, also like H,S, there are three solid phases, and the nature of the phase transitions has been investigated by nuclear magnetic resonance ~t u d i e s .~-~ The low-temperature phase I11 is ordered, and although the crystal structure has not been determined, it has been postulated3 that the unit cell has symmetry lower than tetragonal, which differentiates it from phase 111 of H2S, 6 and contains at least two molecules. The higher temperature phases I and I1 both exhibit orientational disorder and, like these phases of H,S, have cubic ~ymrnetry.~ Some relevant physical properties of H,Se are summarized in Table 1.…”

Section: Introductionmentioning

confidence: 99%

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Raman and infrared spectra of solid hydrogen selenide

Paldus

Schlueter

Anderson

1992

J Raman Spectroscopy

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Raman and infrared spectra of solid H,Se at temperatures between 85 and 20 K are reported and interpreted. The broad peaks observed in the spectra of phase I1 are characteristic of an orientationally disordered crystal, whereas the multiple components of the internal modes and rich lattice spectra found for phase 111 are indicative of an ordered structure. The unit cell for this phase is probably centrosymmetric and contains at least four molecules. Plausible assignments for all observed spectroscopic features are proposed.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Raman and infrared spectra of solid hydrogen selenide

Paldus

Schlueter

Anderson

1992

J Raman Spectroscopy

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“…The nearest-neighbor S-S separations in crystalline H 2 S are 0.40 and 0.42 nm. 45 ͑This is considerably longer than the O-O separation in crystalline H 2 O, 0.28 nm. 46 ͒ Therefore, we suggest that protrusions separated by 0.4 nm are individual molecules, at least some of which are linked by hydrogen bonds.…”

Section: B Molecular Interactionsmentioning

confidence: 99%

Low-temperature adsorption of H2S on Ag(111)

Russell

Liu

Kawai

et al. 2010

The Journal of Chemical Physics

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H 2 S forms a rich variety of structures on Ag(111) at low temperature and submonolayer coverage. The molecules decorate step edges, exist as isolated entities on terraces, and aggregate into clusters and islands, under various conditions. One type of island exhibits a (×)R25.3° unit cell. Typically, molecules in the clusters and islands are separated by about 0.4 nm, the same as the S-S separation in crystalline H 2 S. Density functional theory indicates that hydrogen-bonded clusters contain two types of molecules. One is very similar to an isolated adsorbed H 2 S molecule, with both S-H bonds nearly parallel to the surface. The other has a S-H bond pointed toward the surface. The potential energy surface for adsorption and diffusion is very smooth. KeywordsAmes Laboratory, adsorption, density functional theory, diffusion, hydrogen bonds, intermolecular forces, island structure, molecular clusters, potential energy surfaces, silver, sulphur compounds H 2 S forms a rich variety of structures on Ag͑111͒ at low temperature and submonolayer coverage. The molecules decorate step edges, exist as isolated entities on terraces, and aggregate into clusters and islands, under various conditions. One type of island exhibits a ͑ ͱ 37ϫ ͱ 37͒R25.3°unit cell.Typically, molecules in the clusters and islands are separated by about 0.4 nm, the same as the S-S separation in crystalline H 2 S. Density functional theory indicates that hydrogen-bonded clusters contain two types of molecules. One is very similar to an isolated adsorbed H 2 S molecule, with both S-H bonds nearly parallel to the surface. The other has a S-H bond pointed toward the surface. The potential energy surface for adsorption and diffusion is very smooth.

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“…The low-temperature phase III is ordered, and for many years its structure was thought to be non-centrosymmetric tetragonal, with a large unit cell containing 16 molecules. 4 However, a recent re-determination, using powder neutron diffraction techniques, 5,6 established that the unit cell is centrosymmetric orthorhombic, with eight molecules on two sets of mirror plane sites. The space group is #57: Pbcm or D 11 2h .…”

Section: Introductionmentioning

confidence: 99%

“…Not surprisingly, the number of modes detected was much less than the predictions of a group theoretical analysis based on the erroneous structure. 4 A correlation diagram based on the newly determined structure 5,6 is shown in Fig. 2.…”

Section: Introductionmentioning

confidence: 99%

Vibrational spectra of solid hydrogen sulfide: a lattice dynamics study

Zeng

Anderson

2000

J. Raman Spectrosc.

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A simple force constant model is described and applied to the vibrations of crystalline H2S and D2S in their low‐temperature ordered phase III, the structure of which has recently been determined. The model uses 14 adjustable parameters (three intramolecular and 11 intermolecular) to calculate the wavenumbers of 69 optical modes for each crystal, and good agreement with Raman and infrared data is obtained. The most important intermolecular interactions are confirmed to be hydrogen bonds, the formation of which results in a slight weakening of the molecular H — S bonds. In order to model the unusually wide range of lattice wavenumbers for these crystals, it is found necessary to introduce intermolecular bending force constants involving the hydrogen bonds. Copyright © 2000 John Wiley & Sons, Ltd.

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Structure and Phase Transition in Solid Hydrogen and Deuterium Sulphides

Cited by 50 publications

References 20 publications

Raman and infrared spectra of solid hydrogen selenide

Raman and infrared spectra of solid hydrogen selenide

Low-temperature adsorption of H2S on Ag(111)

Vibrational spectra of solid hydrogen sulfide: a lattice dynamics study

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