Do ν(CO) Stretching Frequencies in Metal Carbonyl Complexes Unequivocally Correlate with the Intrinsic Electron-Donicity of Ancillary Ligands?

Dmitry A. Valyaev (1, 2) , Rémy Brousses (1) , Noël Lugan (1) , Israel Fernández (3) , Miguel Sierra (3)

1 LCC - Laboratoire de chimie de coordination
2 INEOS - A. N. Nesmeyanov Institute of Organoelement Compounds
3 Department of Organic Chemistry, Universidad Complutense de Madrid

Distorting the ν(CO) response: Weak Cipso⋅⋅⋅C≡O and Hortho⋅⋅⋅C≡O interligand interactions within MnI aryloxycarbene complexes are seen to induce a significant redshift of the corresponding IR ν(CO) stretching frequencies, revealing that the position of such bands may not unequivocally correlate with the intrinsic electron-donicity of ancillary ligands.

Mots clés: AIM theory; Carbene complexes; Charge density analyses; Density functional calculations; IR spectroscopy

Domaines: Chimie de coordination

Dmitry A. Valyaev, Rémy Brousses, Noël Lugan, Israel Fernández, Miguel Sierra. Do ν(CO) Stretching Frequencies in Metal Carbonyl Complexes Unequivocally Correlate with the Intrinsic Electron-Donicity of Ancillary Ligands?. Chemistry - A European Journal, 2011, 17 (24), pp.6602-6605. ⟨10.1002/chem.201100651⟩. ⟨hal-03739879⟩