FTIR AND DFT STUDIES OF NOVEL, SMALL GERMANIUM-CARBON CLUSTERS

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2001

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Ohio State University

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Abstract

The vibrational fundamentals and structures of germanium-carbon clusters formed by laser ablation and trapped in solid Ar, are currently under investigation. The determination of the ground state geometries and vibrational fundamentals are facilitated by the comparison of frequencies and 13C isotopic shifts measured by Fourier transform infrared spectroscopy with the predictions of density functional theory. The identification of the ν3 fundamental of linear GeC3Ge at 1920.7cm−1 has been made,a and the results of further calculations and assignments will be reported.

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aD.L. Robbins, C.M.L. Rittby, and W.R.M. Graham J. Chem. Phys. 114,3570 (2001).


Author Institution: TCU; Department of Physics and Astronomy, TCU

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