Vibrational frequencies and structural determination of digermylcarbodiimide.
The vibrational frequencies and corresponding normal mode assignments of digermylcarbodiimide are examined theoretically using the Gaussian98 set of quantum chemistry codes. All normal modes were successfully assigned to one of eight types of motion (N=C=N asymmetric stretch, N=C=N symmetric stretch, Ge-H stretch, Ge-N stretch, H-Ge-H bend, GeH(3) wag, GeH(3) twist, and Ge-N. . .N-Ge torsion) utilizing the C(2) symmetry of the molecule. Uniform scaling factors were 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. jim.jensen@us.army.mil
D002234:Carbodiimides / Q000737:chemistry*; D005857:Germanium / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman
D002234:Carbodiimides; D005857:Germanium