Issue 0, 1973

Simple models of the far infra-red absorption of polar molecules in liquid and rotator phases

Abstract

Two simple theoretical models of librational and relaxational absorption of polar molecules in the microwave and far infra-red regions are discussed. The first model is an auto-correlation function treatment of a librator in a multi-well potential, while the second is an itinerant oscillator model of a damped librator within a temporary cage of its nearest neighbours which undergo co-operative diffusional reorientation. These models are compared and applied successfully to the absorption spectra of the rotator and liquid phases of (CH3)3CCl and CH3CCl3, and to liquid CH2Cl2 and C6H5Cl, giving reasonable values of the parameters of molecular motion (e.g. barrier heights V∽2.2 to 10 kJ mol–1, 2π/ω;0τiτj∽0.3 to 1 ps, ξ/2kTτrτD5 to 20 ps), comparison being made with other calculations where possible. The temperature dependence of the librational frequency (2π/ω0) and the apparent collision frequency (1/τi) is discussed, as is the simplifying assumption of a single librational frequency.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1973,69, 1278-1290

Simple models of the far infra-red absorption of polar molecules in liquid and rotator phases

I. W. Larkin, J. Chem. Soc., Faraday Trans. 2, 1973, 69, 1278 DOI: 10.1039/F29736901278

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Spotlight

Advertisements