FTIR OBSERVATION AND DFT STUDY OF THE AlC$_3$ and AlC$_3$Al LINEAR CHAINS TRAPPED IN SOLID Ar
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Date
2008
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Ohio State University
Abstract
The vibrational spectra of linear AlC$_3$ and AlC$_3$Alwere observed after trapping the products of the dual laser evaporation of aluminum and carbon rods in solid Ar at $\sim$10 K. Fourier transform infrared (FTIR) measurements of $^{13}$C isotopic shifts are in good agreement with the predictions of density functional theory (DFT) B3LYP/6-311G+(3\textit{df}) calculations and have enabled the first identification of the $\nu_3$($\sigma$\textit{$_u$})$=$1624.0 and $\nu_4$($\sigma$\textit{$_u$})$=$528.3 cm$^{-1}$ fundamentals of linear AlC$_3$Al and the tentative assignment of the $\nu_2$($\sigma$)$=$1210.9 cm$^{-1}$ fundamental of linear AlC$_3$.
Description
Author Institution: Department of Physics and Astronomy, Texas Christian University, Fort Worth, TX 76129