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Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt3 )] and [(NHC)Cu(HB(C6 F5 )3 )].

Lee R CollinsNasir A RajabiStuart A MacgregorMary F MahonMichael K Whittlesey
Published in: Angewandte Chemie (International ed. in English) (2016)
The synthesis of the Cu-borate complexes [(6Mes)Cu(HBR3 )] featuring the unusual [HBEt3 ]- (5) and [HB(C6 F5 )3 ]- (6) ligands is described. Experimental and computational studies show both compounds feature a direct Cu-H interaction, but that while 5 is two-coordinate, 6 displays an additional, stabilizing Cu-Cipso (C6 F5 ) interaction.
Keyphrases
  • aqueous solution
  • metal organic framework
  • machine learning
  • case control