Investigation on the protonation of a trisubstituted [Fe(2)(CO)(3)(PPh(3))(kappa(2)-phen)(mu-pdt)] complex: rotated versus unrotated intermediate pathways.
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.
Orain
Pierre-Yves
PY
Université Européenne de Bretagne, France.
Capon
Jean-François
JF
Gloaguen
Frédéric
F
Pétillon
François Y
FY
Schollhammer
Philippe
P
Talarmin
Jean
J
Zampella
Giuseppe
G
De Gioia
Luca
L
Roisnel
Thierry
T
D056831:Coordination Complexes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D008968:Molecular Conformation; D011522:Protons; D012399:Rotation; D013237:Stereoisomerism
D056831:Coordination Complexes; D011522:Protons