title: Investigation on the protonation of a trisubstituted [Fe(2)(CO)(3)(PPh(3))(kappa(2)-phen)(mu-pdt)] complex: rotated versus unrotated intermediate pathways.
abstract: The substitution of PPh(3) for a carbonyl group at the {Fe(CO)(3)} moiety in [Fe(2)(CO)(4)(kappa(2)-phen)(mu-pdt)] results in the formation of the trisubstituted complex [Fe(2)(CO)(3)(PPh(3))(kappa(2)-phen)(mu-pdt)] (2). Unlike its tetracarbonyl precursor, the protonation of 2 at low temperature does not afford any apparent transient terminal hydride species. Hydride formation for [Fe(2)(CO)(3)(L)(kappa(2)-phen)(mu-pdt)] (L = PPh(3), CO) species is also studied by density functional theory calculations, which show that activation barriers to give terminal and bridging hydrides can be remarkably close for this class of organometallic compounds.
authors.affiliation: Université Européenne de Bretagne, France.
authors.forename: Pierre-Yves
authors.initials: PY
authors.lastname: Orain
authors.forename: Jean-François
authors.initials: JF
authors.lastname: Capon
authors.forename: Frédéric
authors.initials: F
authors.lastname: Gloaguen
authors.forename: François Y
authors.initials: FY
authors.lastname: Pétillon
authors.forename: Philippe
authors.initials: P
authors.lastname: Schollhammer
authors.forename: Jean
authors.initials: J
authors.lastname: Talarmin
authors.forename: Giuseppe
authors.initials: G
authors.lastname: Zampella
authors.forename: Luca
authors.initials: L
authors.lastname: De Gioia
authors.forename: Thierry
authors.initials: T
authors.lastname: Roisnel
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation; D011522:Protons; D012399:Rotation; D013237:Stereoisomerism
chemical_list: D056831:Coordination Complexes; D011522:Protons