Mechanism of the platinum/tin-catalyzed asymmetric hydroformylation of styrene: A detailed computational investigation of the chiral discrimination

@inproceedings{Papp2013MechanismOT,
  title={Mechanism of the platinum/tin-catalyzed asymmetric hydroformylation of styrene: A detailed computational investigation of the chiral discrimination},
  author={Tamara Papp and L{\'a}szl{\'o} Koll{\'a}r and Tam{\'a}s K{\'e}gl},
  year={2013}
}
The Pt/Sn-catalyzed asymmetric hydroformylation of styrene in the presence of the model complex PtH(SnCl3)(chiraphosH) (chiraphosH = (2S,3S)-2,3-bis(diphosphino)butane) has been investigated by means of DFT calculations. All elementary steps of the catalytic cycle have been considered: i.e., the olefin coordination, its insertion into the Pt–H bond, CO activation and its subsequent insertion into the Pt–alkyl bond, dihydrogen activation, and reductive elimination resulting in aldehydes. The… CONTINUE READING
1
Twitter Mention