MICROWAVE INVESTIGATION OF SULFURIC ACID MONOHYDRATE

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2000

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Ohio State University

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We report the first microwave spectroscopic investigation of the 1:1 complex of $H_{2}O-H_{2}SO_{4}$ and several of its deuterated and $^{18}O$ containing isotopomers. The complex is prepared in situ via reaction of water and $SO_{3}$ using a co-injection source in which $H_{2}O$ vapor is introduced into the early stages of an $Ar + SO_{3}$ expansion. Both a- and c- type spectra for fourteen isotopomers have been measured and are consistent in all cases with that of a near-prolate rotor with appreciable dipole moment components along the a- and c- inertial axes. The spectra of the isotopomers containing $H_{2}^{16} O$ are complicated by internal motion of the water unit affecting both the a-type $K_{-1} = 0$ and several of the c-type transitions. The possible internal motions giving rise to the observed spectral splittings as well as the ground state structural parameters of the $H_{2}O-H_{2}SO_{4}$ complex will be discussed and compared to recent DFT $calculations.^{a,b}$

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$^{a}$S. Re, Y. Osamura, K. Morokuma, J. Phys. Chem. A 103, 3535 (1999). $^{b}$H. Arstila, K. Laasonen, A. Laaksonen, J. Chem. Phys. 108, 1031 (1998).
Author Institution: Department of Chemistry, University of Minnesota

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