Raman intensities of lattice vibrations in naphthalene

Cardini, Gianni; Schettino, Vincenzo

doi:10.1002/jrs.1250150406

Cited by 10 publications

(2 citation statements)

References 12 publications

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“…In the Raman spectrum only, a peak at 624 cm -1 is weakly observed. This can again be explained by the oriented gas model, considering that the polarizability tensor of the water molecule is almost spherical …”

Section: Spectroscopic Analysismentioning

confidence: 95%

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Solid-State Phase Transition Induced by Pressure in LiOH·H₂O

et al. 2006

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When the free energy surface of the lithium hydroxide monohydrate crystal was explored, the high-pressure solid-state phase transition was determined. The high-pressure phase has been obtained through ab initio Car-Parrinello molecular dynamics simulation in the isothermic-isobaric ensemble. The recent metadynamics method has been applied to overcome the high activation energy barriers typical of rare events, like solid-state phase transition at high pressures. In the LiOH x H2O system, there are two kinds of H bonds: water-water and hydroxyl-water. The effect of the pressure has been investigated, to give further insight into the high-pressure phase. The strengthening of the H bonds of the system produces modifications in the water and the hydroxyl ion dipole electronic environment. The infrared spectra of both phases have been calculated and compared with experiments, and the assignment of the external modes has been discussed.

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Section: Spectroscopic Analysismentioning

confidence: 95%

“…This can again be explained by the oriented gas model, considering that the polarizability tensor of the water molecule is almost spherical. 50 The OHrotational modes in LiOD‚D 2 O are calculated at 430 and 480 cm -1 and correspond to the b (A u ) and ac (B u ) polarized modes.…”

Section: Spectroscopic Analysismentioning

confidence: 99%

Solid-State Phase Transition Induced by Pressure in LiOH·H₂O

et al. 2006

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Polarized Raman and IR spectra of lattice vibrations in the non‐centrosymmetric m‐aminophenol crystal

Giermańska

Szóstak

Girard

et al. 1987

J Raman Spectroscopy

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Polarized Raman and IR spectra of lattice vibrations (10-260cm-') in the m-aminophenol crystal have been recorded at various temperatures in the range 20-300 K. LO-TO splittings of about 2 cm-' have been observed for two modes of A, symmetry. Lattice dynamic calculations of frequencies and calculations of Raman intensities based on the generalized oriented gas model have been performed. A discussion of the influence of hydrogen bonding on the lattice dynamics is presented.

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Raman and far‐infrared study of the polar single crystals of 3‐(4‐chlorophenyl)‐2‐cyanopropenonitrile

Bugueno-Hoffmann

Romain

Pasquier

1988

J Raman Spectroscopy

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Low-frequency Raman and infrared spectra of a single crystal of 3-(4-chlorophenyl)-2-cyanopropenonitrile have been obtained and an assignment of the bands to their symmetry species has been made. Normal coordinate calculations using a dynamic lattice model with only a short-range atom-atom potential confirm roughly the experimental assignments but suggest the need to introduce an electrostatic potential in the lattice mode calculation of this polar crystal. Polarized infrared reflection spectra have been studied in order to determine the longitudinal and transverse optical frequencies, damping factors, oscillator strengths and induced dipole moments of the optical phonons. Approximate dynamic charges on the C S N groups and on the whole molecule were estimated.

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Raman intensities of lattice vibrations in naphthalene

Abstract: The Raman intensities of lattice vibrations in crystalline naphthalene at room temperature have been calculated and compared with experimental results. The contribution of the local field and the effect of two-centre representation of the molecular polarizability are discussed.

Cited by 10 publications

References 12 publications

Solid-State Phase Transition Induced by Pressure in LiOH·H₂O

Solid-State Phase Transition Induced by Pressure in LiOH·H₂O

Polarized Raman and IR spectra of lattice vibrations in the non‐centrosymmetric m‐aminophenol crystal

Raman and far‐infrared study of the polar single crystals of 3‐(4‐chlorophenyl)‐2‐cyanopropenonitrile

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Raman intensities of lattice vibrations in naphthalene

Abstract: The Raman intensities of lattice vibrations in crystalline naphthalene at room temperature have been calculated and compared with experimental results. The contribution of the local field and the effect of two-centre representation of the molecular polarizability are discussed.

Cited by 10 publications

References 12 publications

Solid-State Phase Transition Induced by Pressure in LiOH·H2O

Solid-State Phase Transition Induced by Pressure in LiOH·H2O

Polarized Raman and IR spectra of lattice vibrations in the non‐centrosymmetric m‐aminophenol crystal

Raman and far‐infrared study of the polar single crystals of 3‐(4‐chlorophenyl)‐2‐cyanopropenonitrile

Contact Info

Product

Resources

About

Solid-State Phase Transition Induced by Pressure in LiOH·H₂O

Solid-State Phase Transition Induced by Pressure in LiOH·H₂O