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Ammonia‐Borane Derived BN Fragments Trapped on Bi‐ and Trimetallic Titanium(III) Systems
Author(s) -
del Horno Estefanía,
Jover Jesús,
Mena Miguel,
PérezRedondo Adrián,
Yélamos Carlos
Publication year - 2019
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201900083
Subject(s) - derivative (finance) , crystallography , hydride , chemistry , density functional theory , titanium , ammonia borane , ammonia , paramagnetism , stereochemistry , computational chemistry , hydrogen , physics , hydrogen storage , organic chemistry , quantum mechanics , financial economics , economics
Titanium(III) complexes containing unprecedented (NH 2 BH 2 NHBH 3 ) 2− and {N(BH 3 ) 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*Me 3 ] (Cp*=η 5 ‐C 5 Me 5 ) with NH 3 BH 3 (3 equiv) at room temperature gives the paramagnetic dinuclear complex [{TiCp*(NH 2 BH 3 )} 2 (μ‐NH 2 BH 2 NHBH 3 )], which at 80 °C leads to the trinuclear hydride derivative [{TiCp*(μ‐H)} 3 {μ 3 ‐N(BH 3 ) 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 (μ 3 ‐H)(μ 3 ‐NMe 2 BH 2 )], have been studied by X‐ray crystallography and density functional theory (DFT) calculations.