FTIR Matrix Study of Transition-Metal Carbon Clusters and Potential Circumstellar Molecules: TiC$_{3}$

Results will be presented of recently initiated studies on the structures and infrared spectra of transition metal-carbon clusters that may be of interest in circumstellar shells or other astrophysical environments. Such clusters are also of interest as fundamental building blocks for larger metal-carbon structures, such as metallocarbohedrenes. The FTIR (Fourier transform infrared) spectrum of TiC$_{3}$ was observed by trapping the vapors produced during dual Nd:YAG laser ablation of Ti and C rods in solid Ar at $\sim $10 K. Measurements of frequencies and $^{13}$C isotopic shifts have enabled the identification of the fan-like ($C_{2v})$ isomer of TiC$_{3}$ with vibrational fundamentals \textit{$\nu $}$_{3}(a_{1})$ = 624.3 and \textit{$\nu $}$_{5}(b_{2})$ = 1484.2 cm$^{-1}$. The results are in good agreement with the predictions of DFT calculations at the B3LYP/6-311G(3\textit{df}, 3\textit{pd}) level. The observed $C_{2v}$ structure is also consistent with the results from an earlier photoelectron spectroscopy study.