MEDIUM RESOLUTION FAR INFRARED SPECTROSCOPY OF GASEOUS CYCLOPROPYL-ISOTHIOCYANATE: ANALYSIS OF LARGE AMPLITUDE ANHARMONIC VIBRATIONS
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Date
1984
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Ohio State University
Abstract
In this paper preliminary data from the spectroscopic analysis of cyclopropyl-NCS will be presented. A comparison of the computed far infrared spectrum, as derived from several different theoretical treatments, with the experimentally obtained spectrum will be made. (1-3) The far infrared spectrum of cyclopropyl-NCS was recorded at 0.022 cm-1 resolution using an IBM Instruments IR/98 vacuum interferometer equipped with Hg arc source, variable path gas cell, metal mesh beamsplitter and Ge bolometer. Center of mass calculations using the method of Cameron, et al (4) were performed on the observed rotation-vibration lines, recorded at several sample vapor pressures, inorder to determine their position. The reported band positions are accurate to +/-0.001 cm-1. Application of the theoretical methods used in this paper to liquid crystals at low temperatures will be discussed.
Description
1. L.A. Carreira, I.M. Mills and W.B. Pearson, J. Chem. Phys. 56, 1444 (1972). 2. C.R. Quade, J. Chem. Phys. 65, 700 (1976). 3. A. Wierzbicki, J. Koput and M. Kreglewski, J. Molec. Spectrosc. 99, 102 (1983). 4. D.G. Cameron, J.K. Kauppinen, D.J. Moffatt and H.H. Mantsch, Appl. Spectrosc. 36, 245 (1982).
Author Institution: IBM Instruments Inc., P.O. Box 332, Danbury, CT
Author Institution: IBM Instruments Inc., P.O. Box 332, Danbury, CT