ROTATIONAL SPECTRA AND STRUCTURES OF $Rg-C_{6}H_{6}-H_{2} O$ SANDWICH TRIMERS (Rg = Ne, Ar, or Kr)

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1994

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Ohio State University

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Rotational spectra of $Rg-C_{6}H_{6}-H_{2}O$ isotopomers, where Rg = Ne, Ar or Kr, have been observed with a Balle/Flygare Fourier transform microwave spectrometer. In these trimers the benzene is sandwiched between the rare gas and $H_{2}O$ and m =0 and m = 1 internal rotor states are found. Isotopic substitution and inertial analyses show that the $Rg-C_{6}H_{6}$ distance in the trimer is reduced somewhat (-0.01 {\AA}), Compared to the corresponding distance in the $Rg--C_{6}H_{6}$ dimer. On the other hand, the c.m $(C_{6}H_{6})$ to c.m. $(H_{2}O)$ distance in the trimers is increased only slightly ($\sim$ 0.003 {\AA}) from its distance in the dimmer. Hyperfine structure and substitution analyses with $HDO/D_{2}O$ containing isotopomers reveal that the m = 0 and 1states of $H_{2}O$ in the trimer are virtually unchanged from those in the $C_{6}H_{6}-H_{2}O$ dimmer, including essentially free $rotation.^{1}$ Rotational constants for the m = 0 state of the parent timers are as follows:[FIGURE]

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1. S. Suzuki, P. G. Green, R. E. Bumgarmer, S. Dasgupta, W. A. Goddard III, and G. A. Blake, Science 287, 942 (1992).
Author Institution: Department of Chemistry, University of Illinois

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