Interaction Induced Absorption in Simple to Complex Liquids

作者: Bertrand Guillot , George Birnbaum

DOI: 10.1007/978-94-009-1043-0_1

关键词: Low frequencyFar infraredComputational physicsPhysicsPolarizabilityQuadrupoleSpectral lineLattice (order)Absorption spectroscopyDecoupling (cosmology)

摘要: An attempt is made to provide a theoretical basis for dealing with the collision-induced absorption spectra of complex liquids from consistent viewpoint. One most important approximations decoupling translational and rotational motions. This makes it possible compute separately spectrum resulting each these motions by three-variable Mori-Zwanzig theory. The parameters in equation are estimated lattice gas model that extended include two component mixtures. theory, which there no adjustable parameters, first tested on far infrared (FIR) liquid N2 assuming arises point quadrupole polarizability induced-dipole (QID) mechanism. Satisfactory agreement obtained computer simulation, although both theory simulation have somewhat less high frequency intensity than experiment. FIR C6H6 I2 also computed QID In liquids, grossly underestimates experimental absorption. Finally, dilute solution satisfactory experiment only low part spectrum. To improve at frequencies, an effect contact (transient) charge transfer induced-dipole, but further work required before any definite conclusions can be drawn regarding its influence. A general conclusion this mechanism strongly quadrupolar molecules investigated here, providing useful convenient starting describing such does not enough Possible reasons discussed.

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