title: Vibrational frequencies and structural determination of diethynyldimethylsilane.
abstract: The normal mode frequencies and corresponding vibrational assignments of diethynyldimethylsilane are examined theoretically using the Gaussian 98 set of quantum chemistry codes. Each of the vibrational modes was assigned to one of nine types of motion predicted by a group theoretical analysis (Si-C stretch, C[triple bond]C stretch, C-H stretch, C[triple bond]C-H bend, Si-C[triple bond]C bend, C-Si-C bend, H-C-H bend, CH3 wag, and CH3 twist) utilizing the C3v symmetry of the molecule. A set of uniform scaling factors was derived for each type of motion. Predicted infrared and Raman intensities are reported.
authors.affiliation: US Army Edgewood Chemical and Biological Center, AMSRD-ECB-RT, Aberdeen Proving Ground, MD 21010-5424, USA. jim.jensen@us.army.mil
authors.forename: James O
authors.initials: JO
authors.lastname: Jensen
mesh_terms: D015394:Molecular Structure; D012821:Silanes / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman
chemical_list: D012821:Silanes