How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes.

ABSTRACT: The CO stretching response upon coordination to a metal M to form [(L) _n M(CO)] ^m complexes (L is an auxiliary ligand) is investigated in relation to the σ donation and π back-donation components of the M-CO bond and to the electrostatic effect exerted by the ligand-metal fragment. Our analysis encompasses over 30 carbonyls, in which the relative importance of donation, back-donation and electrostatics are varied either through the ligand in a series of [(L)Au(CO)]^0/+ gold(i) complexes, or through the metal in a series of anionic, neutral and cationic homoleptic carbonyls. Charge-displacement analysis is used to obtain well-defined, consistent measures of σ donation and π back-donation charges, as well as to quantify the σ and π components of

SUBMITTER: Bistoni G 

PROVIDER: S-EPMC5975789 | biostudies-literature | 2016 Feb

REPOSITORIES: biostudies-literature