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

Abstract

Microwave spectroscopy measurements and density functional theory calculations are reported for the bis($\eta$$_5$-cyclopentadienyl)tungsten dihyride complex and its deuterium substituted isotopomers. Rotational transition frequencies were measured in the 4-18 GHz range using a Flygare-Balle-type pulsed beam spectrometer. (C$_5$H$_5$)$_2$WH$_2$ is a near-prolate asymmetric top with preliminary rotational constants of A= 2062, B= 855, and C= 844 MHz for the main $^{184}$W isotopomer. Measurements were made to obtain the M-H bond and H-H distances to determine if this a dihydrogen complex.