Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1410469 | Journal of Molecular Structure | 2009 | 5 Pages |
Abstract
Infrared (gas) and Raman (liquid) spectra of sulfur tetrafluoride methylimide, CH3NSF4, were recorded and interpreted. Structural, vibrational and configurational properties were derived from quantum chemical calculations [HF, MP2 and B3LYP methods with 6-311+G(2df,p) basis sets]. The assignment of the normal modes of vibrations was carried out by comparison with analogous molecules and with calculated frequencies and intensities. All theoretical approaches predict the existence of a unique form in the fluid phases which possesses CS symmetry, in good agreement with experimental results.
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Authors
Ana G. Iriarte, Edgardo H. Cutin, Rosa M.S. Álvarez, Rüdiger Mews, Heinz Oberhammer,