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Intermolecular Hydrogen Bonding between Neutral Transition Metal Hydrides (η5-C5H5)M(CO)3H (M = Mo, W) and Bases

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journal contribution
posted on 22.03.2006, 00:00 by Natalia V. Belkova, Evgenii I. Gutsul, Oleg A. Filippov, Vladislava A. Levina, Dmitriy A. Valyaev, Lina M. Epstein, Agusti Lledos, Elena S. Shubina
The interaction of CpM(CO)3H (M = Mo, W) hydrides as proton donors with different bases (B = pyridine, (n-Oc)3PO, ((CH3)2N)3PO, H3BNEt3) was studied by variable temperature IR spectroscopy and theoretically by DFT/B3LYP calculations. The data obtained show for the first time the formation of intermolecular hydrogen bonds between the neutral transition metal hydrides and bases in solutions of low polarity. These M−H···B hydrogen bonds are shown to precede the hydrides' deprotonation.