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Activation of Aromatic C-C Bonds of 2,2'-Bipyridine Ligands.

Sergio FombonaMaialen Espinal-ViguriMiguel A HuertosJesús DíazRamón LópezMaría Isabel MenéndezJulio PérezLucía Riera
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2016)
4,4'-Disubstituted-2,2'-bipyridine ligands coordinated to MoII and ReI cationic fragments become dearomatized by an intramolecular nucleophilic attack from a deprotonated N-alkylimidazole ligand in cis disposition. The subsequent protonation of these neutral complexes takes place on a pyridine carbon atom rather than at nitrogen, weakening an aromatic C-C bond and affording a dihydropyridyl moiety. Computational calculations allowed for the rationalization of the formation of the experimentally obtained products over other plausible alternatives.
Keyphrases
  • molecular dynamics
  • amino acid
  • density functional theory
  • molecular dynamics simulations
  • electron transfer
  • transition metal
  • energy transfer