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- W2073023032 abstract "Abstract A brief survey of the vibrational and structural data for the monohalo‐acetylenes and their deuterated compounds except the higher member of the series possessing a linear asymmetrical structure with the point group C∞ν is given. The symmetry coordinates, G matrix elements and analytical expression for the mean‐square amplitudes of vibration have been given. The mean amplitudes of vibration at the room temperature have been calculated by the Cyvin's method. A brief discussion of the results follows. The molar thermodynamic functions have been calculated on the basis of a rigid rotator, harmonic oscillator model for the temperature range 100‐2000° K. Molecular polarizabilities have been calculated from a semi‐empirical delta‐function model by using a variational method and delta‐function electronic wave functions. The model enables one to obtain very simple expressions for the parallel and perpendicular components and mean molecular polarizabilities. A comparison of the observed and computed molecular polarizabilities shows that a deviation of nearly 10% is quite reasonable." @default.
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- W2073023032 date "1965-01-01" @default.
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- W2073023032 title "Mean Amplitudes of Vibration, Thermodynamic Functions, and Molecular Polarizabilities of Some Monohaloacetylenes" @default.
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- W2073023032 doi "https://doi.org/10.1002/bscb.19650740502" @default.
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