ROTATIONAL CONFORMERS OF GROUP VI METAL (Cr, Mo, and W) BIS(MESITYLENE) SANDWICH COMPLEXES

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2010

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Ohio State University

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Group VI metal bis(mesitylene) sandwich complexes were produced by interactions between laser-vaporized metal atoms and mesitylene vapor in pulsed molecular beams, identified by photoionization time-of-flight mass spectrometry, and studied by pulsed-field-ionization zero-electron-kinetic-energy spectroscopy and density functional theory calculations. Although transition metal bis(arene) sandwiches may adopt eclipsed and staggered conformations, the group VI metal bis(mesitylene) complexes were determined to be in the eclipsed form. In this configuration, two rotational conformers, with methyl group dihedral angles of 0irc and 60irc, were identified for each complex. The adiabatic ionization energies of the 0irc and 60irc rotamers were measured to be 40557/40359, 42138/41697, and 41452/41000 cm−1 for the Cr, Mo, and W complexes, with the uncertainty of {5 cm−1}. The ground electronic states of the 0irc(D3h)/60irc(D3d) rotamers are 1A1/1A1g in the neutral form and 2A1/2A1g in the ionized form.

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Author Institution: Department of Chemistry, University of Kentucky, Lexington, KY 40506-0055

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