FTIR AND DFT STUDIES OF NOVEL GERMANIUM-CARBON AND MIXED GERMANIUM-SILICON-CARBON CLUSTERS
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Date
2002
Journal Title
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Publisher
Ohio State University
Abstract
The vibrational fundamentals and structures of novel germanium-carbon and mixed germanium-silicon-carbon clusters, formed by laser ablation and trapped in solid Ar, are currently under $investigation.^{a}$ Vibrational fundamentals and ground state geometries are characterized by comparison of Fourier transform infrared measurements of vibrational frequencies and $^{13}C$ isotopic shifts for the matrix isolated clusters with the predictions of density functional theory (DFT). Linear $GeC_{3}Si$ has been detected, the first $Ge_{j}C_{m}Si_{n}$ species to be observed optically, and its $\nu_{1}$ fundamental identified at $1939.0 cm^{-1}$. The results are in excellent agreement with DFT predictions. Additional results and assignments for $Ge_{n}C_{m}$ clusters will be reported.
Description
$^{a}$D.L. Robbins, C.M.L. Rittby, and W.R.M. Graham J. Chem. Phys. 114, 3570 (2001).
Author Institution: Department of Physics and Astronomy, TCU
Author Institution: Department of Physics and Astronomy, TCU