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- W2024512498 abstract "By combining far infrared spectral data (Δv=l) with the transitions (Δv=1 or Δv=2) observed in the Raman effect, it has been possible to obtain the potential functions governing a number of low-frequency, anharmonic vibrations. Potential functions have been determined for small ring compounds, quasi-linear molecules, molecules which contain two internal C, rotors and molecules which have more than one conformation present at ambient temperature. By a combination of far infrared data (Δv=13 ior the ring-puckering vibration (pseudorotational mode) and the Δv=l transitions for the ring-twisting mode (radial mode) obtained from the Raman effect, it has been possible to observe the effects of a finite barrier to planarity and to calculate the two dimensional potential surface for the two low-frequency out-of-plane modes for saturated five-membered rings. By utilizing only the Δv=2 transitions obtained from the Raman spectra for the low-frequency bending modes of quasi-linear molecules, the potential functions for the bending modes of these molecules have been obtained and the equilibrium angle in the ground vibrational state evaluated. For molecules which contain two C3v rotors, the Δv=1 transitions observed in the far infrared spectrum along with the Δv=2 transitions observed in the Raman spectrum of the gases has made it possible to determine both the cosine-cosine (approximately ten percent of the V3 term) and the sine-sine (order of magnitude smaller than the cosine-cosine term) coupling terms." @default.
- W2024512498 created "2016-06-24" @default.
- W2024512498 creator A5033539342 @default.
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- W2024512498 date "1980-01-01" @default.
- W2024512498 modified "2023-10-17" @default.
- W2024512498 title "Determination of potential functions for low-frequency, anharmonic vibrations" @default.
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- W2024512498 doi "https://doi.org/10.1016/0022-2860(80)85073-3" @default.
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