ROTATIONALLY RESOLVED IR SPECTRA OF LiD$_2^+$ AND LiH$_2^+$
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Date
2006
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Publisher
Ohio State University
Abstract
Photodissociation infrared spectra of mass selected LiD$_2^+$ and LiH$_2^+$ have been obtained in the D-D and H-H stretch region respectively, using a tandem mass spectrometer and detecting the Li$^+$ loss channel. For the first time rotationally resolved spectra of these complexes are available providing structural parameters and allowing direct comparison with theoretical data } \textbf{96}, 2004, 205-216}. For LiD$_2^+$ around 100 lines of the K$_{\rm a}$=0$\leftarrow$K$_{\rm a}$=0, K$_{\rm a}$=1$\leftarrow$K$_{\rm a}$=1, and K$_{\rm a}$=2$\leftarrow$K$_{\rm a}$=2 parallel transitions were fitted to a Watson A-reduced Hamiltonian. The analysis of the spectrum was supported by quantum chemical calculations using the program TRIATOM } \textbf{75}, 1993, 339-364.} and the potential from Gianturco \textit{et al.} } \textbf{119}, 2003, 11241-11248}. The LiD$_2^+$ complex was found to have T-shaped structure in agreement with theoretical predictions. An analogous analysis has been performed for the LiH$_2^+$ spectrum which differs from the LiD$_2^+$ spectrum due to larger rotational constants and an altered ortho:para ratio.
Description
Author Institution: Laser Spectroscopy Group, School of Chemistry, University of Melbourne, Parkville, VIC 3010 Australia; Fairfield University, Department of Chemistry, Fairfield, CT 06430 USA