RT info:eu-repo/semantics/article T1 Ammonia-Borane Derived BN Fragments Trapped on Bi- and Trimetallic Titanium(III) Systems A1 Horno Martín, Estefanía del A1 Jover, Jesús A1 Mena Montoro, Miguel A1 Pérez Redondo, Adrián A1 Yélamos Sánchez, Carlos K1 ammonia-borane K1 boranes K1 dehydrogenation K1 density functional calculations K1 titanium K1 Química K1 Chemistry AB 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 ºC 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. SN 0947-6539 YR 2019 FD 2019-05-23 LK http://hdl.handle.net/10017/38447 UL http://hdl.handle.net/10017/38447 LA eng NO Ministerio de Economía y Competitividad de España, Universidad de Alcalá DS MINDS@UW RD 28-mar-2024