Vibrational frequencies and structural determinations of divinyl sulfoxide

摘要

We present a detailed analysis of the structure and infrared spectra of divinyl sulfoxide. The vibrational frequencies of the divinyl sulfoxide molecule were analyzed using standard quantum chemical techniques. Frequencies were calculated at the MP2 and DFT levels of theory using the standard 6-311 G* basis set. The molecule exists normally in a C-s configuration. High-energy forms of divinyl sulfoxide with Cs and C, symmetries also exist. (c) 2004 Elsevier B.V. All rights reserved.