dc.contributor.author | Horno Martín, Estefanía del | |
dc.contributor.author | Jover, Jesús | |
dc.contributor.author | Mena Montoro, Miguel | |
dc.contributor.author | Pérez Redondo, Adrián | |
dc.contributor.author | Yélamos Sánchez, Carlos | |
dc.date.accessioned | 2022-02-10T10:13:44Z | |
dc.date.issued | 2022-01-19 | |
dc.identifier.bibliographicCitation | Chemistry - A European Journal, 2022, v. 28, n. 4, p. E202103085- | en |
dc.identifier.issn | 0947-6539 | |
dc.identifier.uri | http://hdl.handle.net/10017/50672 | en |
dc.description.abstract | Low-valent titanium species were prepared by reaction of [TiCp*X3] (Cp* = eta5-C5Me5; X = Cl, Br, Me) with LiEH4 (E = Al, B) or BH3(thf), and their structures elucidated by experimental and theoretical methods. The treatment of trihalides [TiCp*X3] with LiAlH4 in ethereal solvents (L) leads to the hydride-bridged heterometallic complexes [{TiCp*(mu-H)}2{(mu-H)2AlX(L)}2] (L = thf, X = Cl, Br; L = OEt2, X = Cl). Density functional theory (DFT) calculations for those compounds reveal an open-shell singlet ground state with a Ti-Ti bond and can be described as titanium(II) species. The theoretical analyses also show strong interactions between the Ti-Ti bond and the empty s orbitals of the Al atom of the AlH2XL fragments, which behave as sigma-accepting (Z-type) ligands. Analogous reactions of [TiCp*X3] with LiBH4 (2 and 3 equiv) in tetrahydrofuran at room temperature and at 85 ºC lead to the titanium(III) compounds [{TiCp*(BH4)(mu-X)}2] (X = Cl, Br) and [{TiCp*(BH4)(mu-BH4)}2], respectively. The treatment of [TiCp*Me3] with 4 and 5 equiv of BH3(thf) produces the diamagnetic [{TiCp*(BH3Me)}2(mu-B2H6)] and paramagnetic [{TiCp*(mu-B2H6)}2] complexes, respectively. | en |
dc.description.sponsorship | Ministerio de Ciencia, Innovación y Universidades | es_ES |
dc.description.sponsorship | Universidad de Alcalá | es_ES |
dc.format.mimetype | application/pdf | en |
dc.language.iso | eng | en |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) | en |
dc.rights | © Wiley-VCH GmbH, 2021 | en |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | en |
dc.subject | aluminum | en |
dc.subject | boron | en |
dc.subject | density functional calculations | en |
dc.subject | reduction | en |
dc.subject | titanium | en |
dc.title | Low-Valent Titanium Species Stabilized with Aluminum/Boron Hydride Fragments. | en |
dc.type | info:eu-repo/semantics/article | en |
dc.subject.eciencia | Química | es_ES |
dc.subject.eciencia | Chemistry | en |
dc.contributor.affiliation | Universidad de Alcalá. Departamento de Química Orgánica y Química Inorgánica | es_ES |
dc.date.updated | 2022-02-10T10:06:28Z | |
dc.type.version | info:eu-repo/semantics/publishedVersion | en |
dc.identifier.doi | 10.1002/chem. 202103085 | |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//PGC2018-094007-B-I00/ES// | en |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//PGC2018-093863-B-C21/ES// | en |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//MDM-2017-0767/ES// | en |
dc.relation.projectID | info:eu-repo/grantAgreement/UAH//CCG20%2FCC-007 | en |
dc.date.embargoEndDate | 2023-01-19 | |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | en |
dc.identifier.uxxi | AR/0000038338 | en |
dc.identifier.publicationtitle | Chemistry - A European Journal | en |
dc.identifier.publicationvolume | 28 | |
dc.identifier.publicationissue | 4 | |
dc.identifier.publicationfirstpage | e202103085 | |