Site Effects in Isotopic Mixed Crystals—Site Shift, Site Splitting, Orientational Effect, and Intermolecular Fermi Resonance in the Vibrational Spectrum of Benzene

Elliot R. Bernstein

doi:10.1063/1.1670979

Site Effects in Isotopic Mixed Crystals—Site Shift, Site Splitting, Orientational Effect, and Intermolecular Fermi Resonance in the Vibrational Spectrum of Benzene

The Journal of Chemical Physics ◽

10.1063/1.1670979 ◽

1969 ◽

Vol 50 (11) ◽

pp. 4842-4856 ◽

Cited By ~ 25

Author(s):

Elliot R. Bernstein

Keyword(s):

Vibrational Spectrum ◽

Site Effects ◽

Mixed Crystals ◽

Fermi Resonance ◽

Orientational Effect

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Tridiagonal Fermi resonance structure in the vibrational spectrum of the CH chromophore in CHF3. II. Visible spectra

The Journal of Chemical Physics ◽

10.1063/1.452318 ◽

1987 ◽

Vol 86 (2) ◽

pp. 634-646 ◽

Cited By ~ 117

Author(s):

J. Segall ◽

R. N. Zare ◽

H. R. Dübal ◽

M. Lewerenz ◽

M. Quack

Keyword(s):

Vibrational Spectrum ◽

Fermi Resonance ◽

Resonance Structure ◽

Visible Spectra

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Theoretical study of Fermi resonance in the vibrational spectrum of HO2

The Journal of Chemical Physics ◽

10.1063/1.470519 ◽

1995 ◽

Vol 103 (8) ◽

pp. 2834-2838 ◽

Cited By ~ 12

Author(s):

V. J. Barclay ◽

I. P. Hamilton

Keyword(s):

Vibrational Spectrum ◽

Theoretical Study ◽

Fermi Resonance

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Fermi-Resonance Minima in the Vibrational Spectrum of Water in Crystalline Hydrates

Canadian Journal of Chemistry ◽

10.1139/v75-555 ◽

1975 ◽

Vol 53 (24) ◽

pp. 3837-3840 ◽

Cited By ~ 15

Author(s):

David A. Othen ◽

Osvald Knop ◽

Michael Falk

Keyword(s):

Low Temperature ◽

Vibrational Spectrum ◽

Infrared Absorption ◽

Narrow Band ◽

Fermi Resonance ◽

Condensed Phases ◽

Spectral Features ◽

Bending Vibration ◽

Absorption Features ◽

Crystalline Hydrates

The infrared absorption and Raman spectra of polycrystalline tetrachlorocuprate(II) dihydrates M2CuCl4.2H2O (M = K, Rb, Cs, NH4) contain minima in the OH stretching region which sharpen at low temperature. These minima are shown to be 'Evans holes', or negative absorption features, caused by Fermi resonance between the broad and intense H2O stretching fundamental V1 and a relatively narrow band due to the overtone of the H2O bending vibration 2V2. Our findings confirm that Fermi resonance can lead to unusual spectral features, which must be taken into account in the analysis of the stretching region of the spectra of H2O and D2O in condensed phases, as has been done by Scherer etal. for the spectrum of liquid water.

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