Abstract
The line shapes of the far infrared absorption spectra of liquid carbonyl sulfide were calculated by molecular dynamics simulation at the thermodynamic state of 298 K and a molar volume of 61.70 cm 3/mol. The corresponding time correlation functions of the system dipole moment were separated into contributions arising from the permanent molecular dipoles and from the interaction-induced dipole moments evaluated from a first-order multipole-induced dipole scheme considering the electrostatic multipoles up to the octupole moment. We conclude that the far infrared absorption spectrum of liquid carbonyl sulfide is strongly dominated by the orientational spectrum of the permanent dipoles at lower wavenumbers and, in addition, by the correlation of octupole-induced dipoles at high frequencies.
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