THE MICROWAVE SPECTRUM AND $r_{0}$ STRUCTURE OF THE FURAN$\cdots H_{2}O$ COMPLEX, A CASE OF LARGE AMPLITUDE MOTION

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Title: THE MICROWAVE SPECTRUM AND $r_{0}$ STRUCTURE OF THE FURAN$\cdots H_{2}O$ COMPLEX, A CASE OF LARGE AMPLITUDE MOTION
Creators: Bettens, F. L.; Bettens, R. P. A.; Bauder, A.
Issue Date: 1994
Publisher: Ohio State University
Abstract: The microwave spectra of furan $\cdots H_{2}O$ and furan $\cdots$ DHO were measured and assigned. The spectra contained direct evidence of large amplitude motions (LAMs). In the spectrum of furan $\cdots H_{2}O$, all transitions were split into quartets which were distinguishable as doublets of doublets. The spectrum of furan $\cdots$ DHO was reduced somewhat in complexity with all transitions splilt into doublets. Two dipolar types of trasitions were observed. The presence of quartiets in furan $\cdots H_{2}O$ and DOUBLETS IN FURAN $\cdots DHO$ suggested that there were two LAMs occurring in furan $\cdots H_{2}O$ and that one of these motions was quenched in the complex with DHO. Double resonace was used in both isotopic species in order to distinguish which transitions belonged to the same vibrational state. Each of the six sets of transitions were fitted to the A-reduced Hamiltonian to obtain the effective rotational and centraifugal distoration constants. If the states in furan $\cdots H_{2}O$ are denoted as 1 to 4, then the inertial defects for states 1 and 2 are similar and are approximately -0.34 u {\AA}$^{2}$. For states 3 and 4, $\Delta \approx 0.49$ {\AA}$^{2}$. Similarly, if the two states observed in furan $\cdots$ DHO are denoted as states 5 and 6, than $\Delta = 0.319$ and -0.319 and 0.585 u {\AA}$^{2}$ respectively. These values for the inertial defects imply a planar of nearly planer compled with significant out-of-plane motions. The amplitude of the motions appears substantially larger in states 3, 4 and 6 compared with states 1,2 and 5, respectively. Further evidence for LAMs in the complex comes from the very large values of $\Delta_{jk}$ and $\Delta_{k}$. Effective structures were fitted from the observed rotational constants. The spectral fetures of this complex, the fitted rotational and centrifugal distoration constants and the effective structures will be presented.
Description: $^{*}$One of these authors will present the paper.
Author Institution: Department of Physics, Ohio State University; Laboratorum f\""{u}r Physikallische Chenne, Eidgen\""{o}ssische Technische Hochschule
URI: http://hdl.handle.net/1811/13242
Other Identifiers: 1994-TC-05
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