| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9757013 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2005 | 5 Pages |
Abstract
Force fields and vibrational wavenumbers were calculated for the molecules SO2XF (XÂ =Â Cl, Br) using DFT techniques. The previously available experimental data and assignments for SO2ClF and SO2BrF were partially confirmed by the theoretical results. These data were subsequently used in the definition of scaled quantum mechanics force fields for such molecules. A comparison of the obtained force constants is made with results previously published for the SO2X2 molecules.
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Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
L.E. Fernández, E.L. Varetti,