Vibrational frequencies and structural determination of digermyl ether.
The normal mode frequencies and corresponding vibrational assignments of digermyl ether in C(2v) symmetry are examined theoretically using the Gaussian 98 set of quantum chemistry codes. All normal modes were successfully assigned to one of six types of motion (Ge-H stretch, Ge-O stretch, Ge-O-Ge bend, H-Ge-H bend, GeH(3) wag, and GeH(3) twist) predicted by a group theoretical analysis. By comparing the vibrational frequencies with IR and Raman spectra available in the literature, a set of scaling factors is derived. Predicted infrared and Raman intensities are reported.
Jensen
James O
JO
US Army Edgewood Chemical and Biological Center, Aberdeen Proving Ground, MD 21010-5424, USA. jim.jensen@us.army.mil
D004987:Ethers / Q000737:chemistry*; D005857:Germanium / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman
D004987:Ethers; D005857:Germanium