ROTATIONAL SPECTRA AND STRUCTURAL PARAMETERS OF BIS($\eta$$_5$-CYCLOPENTADIENYL)TUNGSTEN DIHYDRIDE

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Microwave spectroscopy measurements and density functional theory calculations are reported for the bis(η5-cyclopentadienyl)tungsten dihyride complex and its deuterium substituted isotopomers. Rotational transition frequencies were measured in the 4-18 GHz range using a Flygare-Balle-type pulsed beam spectrometer. (C5H5)2WH2 is a near-prolate asymmetric top with preliminary rotational constants of A= 2062, B= 855, and C= 844 MHz for the main 184W isotopomer. Measurements were made to obtain the M-H bond and H-H distances to determine if this a dihydrogen complex.

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Author Institution: Department of Chemistry, University of Arizona, Tucson, AZ 85721

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