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A Bis(thiophosphinoyl)methanediide Palladium Complex: Coordinated Dianion or Nucleophilic Carbene Complex?
Author(s) -
Cantat Thibault,
Mézailles Nicolas,
Ricard Louis,
Jean Yves,
Le Floch Pascal
Publication year - 2004
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200461392
Subject(s) - palladium , carbene , nucleophile , chemistry , medicinal chemistry , stereochemistry , organic chemistry , catalysis
A question of identity : A palladium complex featuring a carbenic S,C,S‐based pincer ligand is reported (see scheme). DFT calculations show that, unlike classical carbene complexes, coordination occurs through donation from a d orbital at the metal into the empty n p orbital of the carbene fragment, with the n σ orbital essentially acting as a nonbonding orbital. The complex is shown to have nucleophilic character.