VIBRATIONAL SPECTRA OF A HEXA-ATOMIC SILICON-CARBON CLUSTER: LINEAR SiC4Si .

J. D. PRESILLA-MÁRQUEZ, C. M. L. RITTBY AND W. R. M. GRAHAM, Department of Physics, Texas Christian University, Fort Worth, TX 76129.

Ongoing Fourier transform infrared investigations of the spectra and structures of silicon-carbon clusters trapped in Ar at 10 K, have resulted in the observation of the first six-member cluster, Si2C4 cluster. Two vibrational fundamentals of the linear SiC4Si structure have been assigned, the C=C stretching mode nu4(sigmau) = 1807.4 cm-1, and the Si-C stretching mode nu5(sigmau) = 719.1 cm-1. The measured frequencies, relative intensities, and 13C and 29,30Si isotopic shifts are in very good agreement with the predictions of DFT calculations and confirm the previously predicted, linear symmetric geometry for the ground state of SiC4Si.