Ammonia-Borane Derived BN Fragments Trapped on Bi- and Trimetallic Titanium(III) Systems
Autores
Horno Martín, Estefanía del; Jover, Jesús; Mena Montoro, Miguel; Pérez Redondo, Adrián; Yélamos Sánchez, CarlosIdentificadores
Enlace permanente (URI): http://hdl.handle.net/10017/38447DOI: 10.1002/chem.201900083
ISSN: 0947-6539
Fecha de publicación
2019-05-23Fecha fin de embargo
2020-03-13Patrocinadores
Ministerio de Economía y Competitividad de España, Universidad de Alcalá
Cita bibliográfica
Chemistry - A European Journal, 2019, v. 25, n. 29, p. 7096-7100
Palabras clave
ammonia-borane
boranes
dehydrogenation
density functional calculations
titanium
Proyectos
CTQ2013-33625-R, CTQ2015-64579-C3-1-P, CCGP2017-EXP/021
Tipo de documento
info:eu-repo/semantics/article
Versión
info:eu-repo/semantics/publishedVersion
Derechos
Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
© Wiley-VCH Verlag GmbH & Co. KGaA, 2019
Derechos de acceso
info:eu-repo/semantics/openAccess
Resumen
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.
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