Vibrational frequencies and structural determination of triethynylmethylsilane.
The normal mode frequencies and corresponding vibrational assignments of Triethynylmethylsilane (CH3Si(CCH)3) are examined theoretically using the Gaussian98 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.
Jensen
James O
JO
US Army Edgewood Chemical and Biological Center AMSSB-RRT-DP, Aberdeen Proving Ground, MD 21010-5424, USA. james.jensen@sbccom.apgea.army.mil
D015394:Molecular Structure; D011789:Quantum Theory; D012821:Silanes / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman
D012821:Silanes