THE MICROWAVE SPECTRUM OF ARGON-TROPOLONE
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Date
2005
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Publisher
Ohio State University
Abstract
Using a pulsed jet Fourier transform microwave spectrometer we have recorded the rotational spectrum of the argon-tropolone van der Waals complex between 6 and 17 GHz. Eighty-six transitions were observed (29 $a$-type and 57 $b$-type) with $J^{\prime \prime }$ values ranging from 2 to 8 and maximum $K_a^{\prime \prime }$ and $K_c^{\prime \prime }$ values of 5 and 8, respectively. The transitions were fit with a Watson A-reduction Hamiltonian in a $I^{r}$ representation using the SPFIT program} \textbf{60}, 883 (1998).}. The fit ground state constants for argon-tropolone are $A=1080.4365(3)$ MHz, $B=883.4943(3)$ MHz, $C=749.0571(2)$ MHz, $\Delta_{J}=2.591(2)$ kHz, $\Delta_{JK}=-3.32(1)$ kHz, $\Delta_{K}=5.232(9)$ kHz, $\delta_{J}=0.944(1)$ kHz, $\delta_{K}=-0.028(8)$ kHz. The rms error for the transition set in the fit is 4 kHz. When included in the Hamiltonian, the tunneling - rotation interaction term, $F(J_{a}J_{b}+J_{b}J_{a})$, did not improve the quality of the fit: proton tunneling in the complex appears to be quenched. The argon coordinates in the principal axis system of tropolone monomer are $a=0.43$ \AA, $b=0.23$ \AA, and $c=3.48$ \AA.
Description
{H. M. Pickett, R. L. Poynter, E. A. Cohen, M. L. Delitsky, J. C. Pearson and H. S. P. Muller \textit{J. Quant. Spectrosc. Radiat. Transfer
Author Institution: Department of Chemistry, Wesleyan University, Middletown, CT 06459; Pacific Northwest National Laboratory, P. O. Box 999, Mail Stop K8-88, Richland, WA 99352 (PNNL is operated for the US; Department of Energy by the Battelle Memorial Institute under contract DE-AC05-76RLO 1830)
Author Institution: Department of Chemistry, Wesleyan University, Middletown, CT 06459; Pacific Northwest National Laboratory, P. O. Box 999, Mail Stop K8-88, Richland, WA 99352 (PNNL is operated for the US; Department of Energy by the Battelle Memorial Institute under contract DE-AC05-76RLO 1830)