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P. GRONER, Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110-2499; S. ALBERT, M. QUACK, Physical Chemistry, ETH Zürich, CH-8093 Zürich, Switzerland.
The effective rotational Hamiltonian for molecules with one or two periodic large-amplitude motions implemented in program ERHAM has been adapted to enable prediction and least-squares fits of rotationally resolved lines in vibration-rotation spectra in the infrared region. The modified program is currently applied to assign the band of methyl formate at 925 cm-1 that has been measured at ETH in Zurich on the IFS125 Bruker prototype ZP 2001 FTIR spectrometer at a resolution of 0.001 cm-1. An external glass cell with an optical path length of 3 m contained the sample, and 150 interferograms were co-added. Right now it looks as if the splitting into A and E components were a little too small to be resolved sufficiently for positive identification.