Infrared absorption profiles for small acetonitrile clusters. Theory and experiment
- 1 January 1988
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Faraday Discussions of the Chemical Society
- Vol. 86, 209-219
- https://doi.org/10.1039/dc9888600209
Abstract
Infrared absorption profiles have been measured for small acetonitrile clusters by monitoring the depletion of signal intensity in a mass spectrometer as a function of CO2 laser wavelength. The profiles have been compared with infrared spectra calculated for (CH3CN)4 using computer simulation methods. Classical mechanics has been used to treat the translational and rotational degrees of freedom, and perturbation theory has provided a measure of the frequencey shift induced in individual molecules by the surrounding environment. It is proposed that small acetronitrile clusters are solid-like with an internal temperature of <120 K.Keywords
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