Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems

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...

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Autores: Del Horno, Estefanía, Jover Modrego, Jesús, Mena, Miguel, Pérez-Redondo, Adrián, Yélamos, Carlos
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2019
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/143161
Acceso en línea:https://hdl.handle.net/2445/143161
Access Level:acceso abierto
Palabra clave:Titani
Radiocristal·lografia
Teoria del funcional de densitat
Titanium
X-ray crystallography
Density functionals
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spelling Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systemsDel Horno, EstefaníaJover Modrego, JesúsMena, MiguelPérez-Redondo, AdriánYélamos, CarlosTitaniRadiocristal·lografiaTeoria del funcional de densitatTitaniumX-ray crystallographyDensity functionalsTitanium(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 XWiley-VCH2019info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://hdl.handle.net/2445/143161Articles publicats en revistes (Química Inorgànica i Orgànica)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésVersió postprint del document publicat a:Chemistry-A European Journal, 2019, vol. 25, p. 7096-7100(c) Wiley-VCH, 2019info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1431612026-05-27T06:46:51Z
dc.title.none.fl_str_mv Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems
title Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems
spellingShingle Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems
Del Horno, Estefanía
Titani
Radiocristal·lografia
Teoria del funcional de densitat
Titanium
X-ray crystallography
Density functionals
title_short Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems
title_full Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems
title_fullStr Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems
title_full_unstemmed Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems
title_sort Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systems
dc.creator.none.fl_str_mv Del Horno, Estefanía
Jover Modrego, Jesús
Mena, Miguel
Pérez-Redondo, Adrián
Yélamos, Carlos
author Del Horno, Estefanía
author_facet Del Horno, Estefanía
Jover Modrego, Jesús
Mena, Miguel
Pérez-Redondo, Adrián
Yélamos, Carlos
author_role author
author2 Jover Modrego, Jesús
Mena, Miguel
Pérez-Redondo, Adrián
Yélamos, Carlos
author2_role author
author
author
author
dc.subject.none.fl_str_mv Titani
Radiocristal·lografia
Teoria del funcional de densitat
Titanium
X-ray crystallography
Density functionals
topic Titani
Radiocristal·lografia
Teoria del funcional de densitat
Titanium
X-ray crystallography
Density functionals
description 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
publishDate 2019
dc.date.none.fl_str_mv 2019
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/143161
url https://hdl.handle.net/2445/143161
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Versió postprint del document publicat a:
Chemistry-A European Journal, 2019, vol. 25, p. 7096-7100
dc.rights.none.fl_str_mv (c) Wiley-VCH, 2019
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) Wiley-VCH, 2019
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Wiley-VCH
publisher.none.fl_str_mv Wiley-VCH
dc.source.none.fl_str_mv Articles publicats en revistes (Química Inorgànica i Orgànica)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,300724

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