Vibrational frequencies and structural determination of Ge4O4 |
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Authors: | Jensen James O |
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Affiliation: | U.S. Army Edgewood Chemical and Biological Center, AMSRD-ECB-RT-DP, Aberdeen Proving Ground, MD 21010-5424, USA. jim.jensen@us.army.mil |
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Abstract: | The vibrational frequencies and corresponding normal mode assignments of the germanium monoxide tetramer (Ge4O4) in Td symmetry are examined theoretically using the Gaussian03 set of quantum chemistry codes and compared against available experimental data. All normal modes were successfully assigned to one of two types of motion predicted by a group theoretical analysis (Ge-O stretch and Ge-O-Ge bend) utilizing the Td symmetry of the molecule. The molecule possesses a cubane-like structure. |
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Keywords: | Vibrations Normal mode frequencies Infrared spectra Raman spectra Germanium monoxide tetramer Germanium oxide |
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