Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands

To clarify the nature of the Mo[BOND]Carene interaction in terphenyl complexes with quadruple Mo[BOND]Mo bonds, ether adducts of composition [Mo2(Ar′)(I)(O2CR)2(OEt2)] have been prepared and characterized (Ar′=ArXyl2, R=Me; Ar′=ArMes2, R=Me; Ar′=ArXyl2, R=CF3) (Mes=mesityl; Xyl=2,6-Me2C6H3, from now...

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Autores: Carrasco, Mario, Mendoza, Irene, Álvarez González, Eleuterio, Grirrane, Abdessamad, Maya Díaz, Celia María, Peloso, Riccardo, Rodríguez, Amor, Falceto, Andrés, Álvarez, Santiago, Carmona Durán, Ernesto
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2015
País:España
Institución:Universidad de Sevilla (US)
Repositorio:idUS. Depósito de Investigación de la Universidad de Sevilla
OAI Identifier:oai:idus.us.es:11441/64445
Acceso en línea:http://hdl.handle.net/11441/64445
https://doi.org/10.1002/chem.201404057
Access Level:acceso abierto
Palabra clave:Density fuctional calculations
Lewis bases
Molybdenum
Quadrupel bonds
Therphenyl ligands
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spelling Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl LigandsCarrasco, MarioMendoza, IreneÁlvarez González, EleuterioGrirrane, AbdessamadMaya Díaz, Celia MaríaPeloso, RiccardoRodríguez, AmorFalceto, AndrésÁlvarez, SantiagoCarmona Durán, ErnestoDensity fuctional calculationsLewis basesMolybdenumQuadrupel bondsTherphenyl ligandsTo clarify the nature of the Mo[BOND]Carene interaction in terphenyl complexes with quadruple Mo[BOND]Mo bonds, ether adducts of composition [Mo2(Ar′)(I)(O2CR)2(OEt2)] have been prepared and characterized (Ar′=ArXyl2, R=Me; Ar′=ArMes2, R=Me; Ar′=ArXyl2, R=CF3) (Mes=mesityl; Xyl=2,6-Me2C6H3, from now on xylyl) and their reactivity toward different neutral Lewis bases investigated. PMe3, P(OMe)3 and PiPr3 were chosen as P-donors and the reactivity studies complemented with the use of the C-donors CNXyl and CN2C2Me4 (1,3,4,5-tetramethylimidazol-2-ylidene). New compounds of general formula [Mo2(Ar′)(I)(O2CR)2(L)] were obtained, except for the imidazol-2-ylidene ligand that yielded a salt-like compound of composition [Mo2(ArXyl2)(O2CMe)2(CN2C2Me4)2]I. The Mo[BOND]Carene interaction in these complexes has been analyzed with the aid of X-ray data and computational studies. This interaction compensates the coordinative and electronic unsaturation of one of the Mo atoms in the above complexes, but it seems to be weak in terms of sharing of electron density between the Mo and Carene atoms and appears to have no appreciable effect in the length of the Mo[BOND]Mo, Mo[BOND]X, and Mo[BOND]L bonds present in these molecules.Ministerio de Ciencia e Innovación CTQ2010–15833, CTQ2011–23862-C02-01Consolider-Ingenio 2010 CSD2007-00006Generalitat de Catalunya 2009SGR-1459Junta de Andalucía FQM-119, P09-FQM-5117WileyQuímica Inorgánica2015info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfapplication/pdfhttp://hdl.handle.net/11441/64445https://doi.org/10.1002/chem.201404057reponame:idUS. Depósito de Investigación de la Universidad de Sevillainstname:Universidad de Sevilla (US)InglésChemistry - a European Journal, 21 (1), 410-421.CTQ2010–15833CTQ2011–23862-C02-01CSD2007-000062009SGR-1459FQM-119P09-FQM-5117http://dx.doi.org/10.1002/chem.201404057info:eu-repo/semantics/openAccessoai:idus.us.es:11441/644452026-06-17T12:51:07Z
dc.title.none.fl_str_mv Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands
title Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands
spellingShingle Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands
Carrasco, Mario
Density fuctional calculations
Lewis bases
Molybdenum
Quadrupel bonds
Therphenyl ligands
title_short Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands
title_full Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands
title_fullStr Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands
title_full_unstemmed Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands
title_sort Experimental and Computational Studies of the Molybdenum-Flanking Arene Interaction in Quadruply Bonded Dimolybdenum Complexes with Terphenyl Ligands
dc.creator.none.fl_str_mv Carrasco, Mario
Mendoza, Irene
Álvarez González, Eleuterio
Grirrane, Abdessamad
Maya Díaz, Celia María
Peloso, Riccardo
Rodríguez, Amor
Falceto, Andrés
Álvarez, Santiago
Carmona Durán, Ernesto
author Carrasco, Mario
author_facet Carrasco, Mario
Mendoza, Irene
Álvarez González, Eleuterio
Grirrane, Abdessamad
Maya Díaz, Celia María
Peloso, Riccardo
Rodríguez, Amor
Falceto, Andrés
Álvarez, Santiago
Carmona Durán, Ernesto
author_role author
author2 Mendoza, Irene
Álvarez González, Eleuterio
Grirrane, Abdessamad
Maya Díaz, Celia María
Peloso, Riccardo
Rodríguez, Amor
Falceto, Andrés
Álvarez, Santiago
Carmona Durán, Ernesto
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Química Inorgánica
dc.subject.none.fl_str_mv Density fuctional calculations
Lewis bases
Molybdenum
Quadrupel bonds
Therphenyl ligands
topic Density fuctional calculations
Lewis bases
Molybdenum
Quadrupel bonds
Therphenyl ligands
description To clarify the nature of the Mo[BOND]Carene interaction in terphenyl complexes with quadruple Mo[BOND]Mo bonds, ether adducts of composition [Mo2(Ar′)(I)(O2CR)2(OEt2)] have been prepared and characterized (Ar′=ArXyl2, R=Me; Ar′=ArMes2, R=Me; Ar′=ArXyl2, R=CF3) (Mes=mesityl; Xyl=2,6-Me2C6H3, from now on xylyl) and their reactivity toward different neutral Lewis bases investigated. PMe3, P(OMe)3 and PiPr3 were chosen as P-donors and the reactivity studies complemented with the use of the C-donors CNXyl and CN2C2Me4 (1,3,4,5-tetramethylimidazol-2-ylidene). New compounds of general formula [Mo2(Ar′)(I)(O2CR)2(L)] were obtained, except for the imidazol-2-ylidene ligand that yielded a salt-like compound of composition [Mo2(ArXyl2)(O2CMe)2(CN2C2Me4)2]I. The Mo[BOND]Carene interaction in these complexes has been analyzed with the aid of X-ray data and computational studies. This interaction compensates the coordinative and electronic unsaturation of one of the Mo atoms in the above complexes, but it seems to be weak in terms of sharing of electron density between the Mo and Carene atoms and appears to have no appreciable effect in the length of the Mo[BOND]Mo, Mo[BOND]X, and Mo[BOND]L bonds present in these molecules.
publishDate 2015
dc.date.none.fl_str_mv 2015
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 http://hdl.handle.net/11441/64445
https://doi.org/10.1002/chem.201404057
url http://hdl.handle.net/11441/64445
https://doi.org/10.1002/chem.201404057
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Chemistry - a European Journal, 21 (1), 410-421.
CTQ2010–15833
CTQ2011–23862-C02-01
CSD2007-00006
2009SGR-1459
FQM-119
P09-FQM-5117
http://dx.doi.org/10.1002/chem.201404057
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv reponame:idUS. Depósito de Investigación de la Universidad de Sevilla
instname:Universidad de Sevilla (US)
instname_str Universidad de Sevilla (US)
reponame_str idUS. Depósito de Investigación de la Universidad de Sevilla
collection idUS. Depósito de Investigación de la Universidad de Sevilla
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.300719

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