title: Vibrational frequencies and structural determinations of divinyl sulfoxide.
abstract: 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 6-311G* basis set. The molecule exists normally in a C(s) configuration. High-energy forms of divinyl sulfoxide with C(S) and C(1) symmetries also exist.
authors.affiliation: U.S. Army Edgewood Chemical and Biological Command, Aberdeen Proving Grounds, MD 21010-5423, USA. mwellzy@sbccom.apgea.army.mil
authors.forename: Michael W
authors.initials: MW
authors.lastname: Ellzy
authors.forename: Steven D
authors.initials: SD
authors.lastname: Christesen
authors.forename: James O
authors.initials: JO
authors.lastname: Jensen
authors.forename: Jack G
authors.initials: JG
authors.lastname: Kay
mesh_terms: D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D013055:Spectrophotometry, Infrared; D017550:Spectroscopy, Fourier Transform Infrared; D013454:Sulfoxides / Q000032:analysis / Q000737:chemistry*
chemical_list: D013454:Sulfoxides