Ammonia-Borane Derived BN Fragments Trapped on Bi- and Trimetallic Titanium(III) Systems |
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| Authors: | Estefanía del Horno Dr. Jesús Jover Dr. Miguel Mena Dr. Adrián Pérez-Redondo Dr. Carlos Yélamos |
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| Affiliation: | 1. Departamento de Química Orgánica y Química Inorgánica, Instituto de Investigación Química “Andrés M. del Río” (IQAR), Universidad de Alcalá, 28805 Alcalá, de Henares-Madrid, Spain;2. Department de Química Inorgànica i Orgànica, Institut de Química Teòrica i Computacional (IQTC-UB), Universitat de Barcelona, Martí i Franquès 1–11, 08028 Barcelona, Spain |
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| Abstract: | Titanium(III) complexes containing unprecedented (NH2BH2NHBH3)2− and {N(BH3)3}3− ligands have been isolated, and their structures elucidated by a combination of experimental and theoretical methods. The treatment of the trimethyl derivative [TiCp*Me3] (Cp*=η5-C5Me5) with NH3BH3 (3 equiv) at room temperature gives the paramagnetic dinuclear complex [{TiCp*(NH2BH3)}2(μ-NH2BH2NHBH3)], which at 80 °C leads to the trinuclear hydride derivative [{TiCp*(μ-H)}3{μ3-N(BH3)3}]. The bonding modes of the anionic BN fragments in those complexes, as well as the dimethylaminoborane group trapped on the analogous trinuclear [{TiCp*(μ-H)}3(μ3-H)(μ3-NMe2BH2)], have been studied by X-ray crystallography and density functional theory (DFT) calculations. |
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| Keywords: | ammonia-borane boranes dehydrogenation density functional calculations titanium |
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