title: Experimental and computational studies of the molybdenum-flanking arene interaction in quadruply bonded dimolybdenum complexes with terphenyl ligands.
abstract: To clarify the nature of the Mo-Carene interaction in terphenyl complexes with quadruple Mo-Mo bonds, ether adducts of composition [Mo2 (Ar')(I)(O2 CR)2 (OEt2)] have been prepared and characterized (Ar'=Ar(Xyl) 2 , R=Me; Ar'=ArMes2, R=Me; Ar'=Ar(Xyl2), R=CF3) (Mes=mesityl; Xyl=2,6-Me2 C6 H3, 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 CN2 C2 Me4 (1,3,4,5-tetramethylimidazol-2-ylidene). New compounds of general formula [Mo2 (Ar')(I)(O2 CR)2 (L)] were obtained, except for the imidazol-2-ylidene ligand that yielded a salt-like compound of composition [Mo2 (Ar(Xyl2))(O2 CMe)2 (CN2 C2 Me4)2]I. The Mo-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-Mo, Mo-X, and Mo-L bonds present in these molecules.
authors.affiliation: Instituto de Investigaciones Químicas, Departamento de Química Inorgánica Universidad de Sevilla-Consejo Superior de Investigaciones Científicas, Avenida Américo Vespucio 49, 41092 Sevilla (Spain), Fax: (+34) 954460565.
authors.forename: Mario
authors.initials: M
authors.lastname: Carrasco
authors.forename: Irene
authors.initials: I
authors.lastname: Mendoza
authors.forename: Eleuterio
authors.initials: E
authors.lastname: Álvarez
authors.forename: Abdessamad
authors.initials: A
authors.lastname: Grirrane
authors.forename: Celia
authors.initials: C
authors.lastname: Maya
authors.forename: Riccardo
authors.initials: R
authors.lastname: Peloso
authors.forename: Amor
authors.initials: A
authors.lastname: Rodríguez
authors.forename: Andrés
authors.initials: A
authors.lastname: Falceto
authors.forename: Santiago
authors.initials: S
authors.lastname: Álvarez
authors.forename: Ernesto
authors.initials: E
authors.lastname: Carmona
keywords: Lewis bases; density functional calculations; molybdenum; quadruple bonds; terphenyl ligands