Vibrational frequencies and structure determination of silylgermane.
The normal mode frequencies and corresponding vibrational assignments of silylgermane are examined theoretically using the GAUSSIAN 98 set of quantum chemistry codes. All normal modes were successfully assigned to one of seven types of motion predicted by a group theoretical analysis (Si-H stretch, Ge-H stretch, Si-Ge stretch, H-Si-H bend, H-Ge-H bend, SiH(3) wag/GeH(3) wag and Si-Ge torsion) utilizing the C(3v) symmetry of the molecule. Predicted infrared and Raman intensities are presented. Molecular orbitals are presented and bonding is examined in terms of the molecular orbitals.
Jensen
James O
JO
U.S. Army Edgewood Chemical and Biological Center, AMSSB-RRT-DP, Aberdeen Proving Ground, MD 21010-5424, USA. james.jensen@sbccom.apgea.army.mil
D005857:Germanium / Q000737:chemistry*; D008958:Models, Molecular; D011789:Quantum Theory; D012828:Silicones / Q000737:chemistry*; D014732:Vibration
D012828:Silicones; D005857:Germanium