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Vibrational frequencies and structural determination of tetraazidogermane
Authors:Jensen James O
Institution:US Army Edgewood Chemical and Biological Center, AMSSB-RRT-DP, Aberdeen Proving Grounds, MD 21010-5424, USA. james.jensen@sbccom.apgea.army.mil
Abstract:The vibrational frequencies and corresponding normal mode assignments of tetraazidogermane are examined theoretically using the Gaussian98 set of quantum chemistry codes. All normal modes were successfully assigned to one of seven types of motion predicted by a group theoretical analysis (N-N-N asymmetric stretch, N-N-N symmetric stretch, Ge-N stretch, N-N-N bend, Ge-N-N bend, N-Ge-N bend, and N-Ge-N-N torsion) utilizing the S(4) symmetry of the molecule. The molecular orbitals of Ge(N(3))(4) are examined.
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