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2(
) STRETCHING MODE OF LINEAR GeC3.
E. GONZALEZ, C. M. L. RITTBY AND W. R. M. GRAHAM, Department of Physics and Astronomy, Texas Christian University, Fort Worth, TX 76129.
GeC3Ge was first1 produced by dual laser ablation of germanium and carbon rods, and the
3(
u) stretching fundamental was assigned at 1920.7 cm-1. Later work2 enhanced the production of the molecule via laser ablation of a single, sintered germanium-carbon rod, thus enabling the identification of two additional infrared active vibrational fundamentals
4(
u)=735.6 cm-1 and
6(
u)=580.1 cm-1. In the present work using the same technique, GeC3 trapped in solid Ar at
10 K has been observed by FTIR spectroscopy . Comparison of 13C isotopic shift measurements with the predictions of density functional theory (DFT) calculations at the B3LYP/cc-pV(D,T)Z level confirm the identification of the
2(
) stretching fundamental at 1279.6 cm-1. \newline\newline 1 D.L. Robbins, C.M.L. Rittby, and W.R.M. Graham, J. Chem. Phys. \textbf114, 3570 (2001).\newline 2 E. Gonzalez, C.M.L. Rittby, and W.R.M. Graham, J. Chem. Phys. in press.