Piezomodulated-Raman-spectroscopy study of the phase transition in phenothiazine

Sartwell, J.; Eckhardt, Craig J.

doi:10.1103/physrevb.48.13361

Cited by 3 publications

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“…11 A recent study of phenothiazine further established the efficacy of PR spectroscopy by providing an understanding of the complicated phase transition behavior of that system. 13 Previously, a detailed study of the displacive phase transition in 1,2,4,5-tetrabromobenzene ͑TBB͒ by Raman spectroscopy has been reported. 14 Although this work permitted the assignment of observed modes, it did not unambiguously a͒ Present address: 3M Company, St. Paul, Minnesota 55144-1000. b͒ Author to whom correspondence should be addressed.…”

Section: Introductionmentioning

confidence: 99%

Anisotropic anharmonicity of lattice and molecular vibrations of 1,2,4,5-tetrabromobenzene determined by piezomodulated Raman spectroscopy

White

Eckhardt

1995

The Journal of Chemical Physics

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Strain-induced coupling constants for the anharmonicity of Raman-active lattice and certain molecular modes of vibration in 1,2,4,5-tetrabromobenzene ͑TBB͒ crystals have been determined using piezomodulated Raman spectroscopy. These constants, which are directly related to the first anharmonic term in the potential energy expansion for lattice dynamical calculations, are a quantitative measurement of the modal anharmonicities in the TBB molecular crystal. Application of uniaxial stress in the experiments permits the anisotropy of the anharmonicity to be determined as well as its magnitude. The TBB lattice modes are significantly coupled by the induced strains and the effects of coupling were observed to be dependent on the direction and symmetry of the strains. The molecular modes investigated were, by comparison, less coupled by the acoustic phonons and generally exhibited less anharmonic response with increasing frequency.

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Section: Introductionmentioning

confidence: 99%

Anisotropic anharmonicity of lattice and molecular vibrations of 1,2,4,5-tetrabromobenzene determined by piezomodulated Raman spectroscopy

White

Eckhardt

1995

The Journal of Chemical Physics

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Study of phenothiazine and N‐methyl phenothiazine by infrared, raman, ¹H‐, and ¹³C‐NMR spectroscopies

Palafox

Gil

Núñez

et al. 2002

Int J of Quantum Chemistry

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A complete vibrational analysis of the Fourier transform (FT) infrared(IR) and FT-Raman spectra of both molecules was carried out using quantum chemical calculations. The structure of phenothiazine (PTZ) and N-methylphenothiazine (N-MePTZ) were studied by semiempirical, and ab initio methods. Different basis sets and two new procedures for scaling the frequencies of the ring modes were used. Vibrational data of the methyl group in N-MePTZ were interpreted in terms of the different molecular conformations in the solid state. The 1 H-and 13 C-nuclear magnetic resonance (NMR) data were interpreted in terms of the electron densities on the atoms and the stacking solute-solute association in dimethyl sulfoxide solution. Chemical shifts were related to the Merz-Kollman atomic charges.

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Reply to ‘‘Comment on ‘Brillouin-scattering study of the elastic constants of phenothiazine through the phase transition’ ’’

Sartwell

Eckhardt

1995

Phys. Rev. B

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Piezomodulated-Raman-spectroscopy study of the phase transition in phenothiazine

Cited by 3 publications

References 10 publications

Anisotropic anharmonicity of lattice and molecular vibrations of 1,2,4,5-tetrabromobenzene determined by piezomodulated Raman spectroscopy

Anisotropic anharmonicity of lattice and molecular vibrations of 1,2,4,5-tetrabromobenzene determined by piezomodulated Raman spectroscopy

Study of phenothiazine and N‐methyl phenothiazine by infrared, raman, ¹H‐, and ¹³C‐NMR spectroscopies

Reply to ‘‘Comment on ‘Brillouin-scattering study of the elastic constants of phenothiazine through the phase transition’ ’’

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Piezomodulated-Raman-spectroscopy study of the phase transition in phenothiazine

Cited by 3 publications

References 10 publications

Anisotropic anharmonicity of lattice and molecular vibrations of 1,2,4,5-tetrabromobenzene determined by piezomodulated Raman spectroscopy

Anisotropic anharmonicity of lattice and molecular vibrations of 1,2,4,5-tetrabromobenzene determined by piezomodulated Raman spectroscopy

Study of phenothiazine and N‐methyl phenothiazine by infrared, raman, 1H‐, and 13C‐NMR spectroscopies

Reply to ‘‘Comment on ‘Brillouin-scattering study of the elastic constants of phenothiazine through the phase transition’ ’’

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Study of phenothiazine and N‐methyl phenothiazine by infrared, raman, ¹H‐, and ¹³C‐NMR spectroscopies