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Experimental and Computational Studies of the Copper Borate Complexes [(NHC)Cu(HBEt 3 )] and [(NHC)Cu(HB(C 6 F 5 ) 3 )]
Author(s) -
Collins Lee R.,
Rajabi Nasir A.,
Macgregor Stuart A.,
Mahon Mary F.,
Whittlesey Michael K.
Publication year - 2016
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.201608081
Subject(s) - boron , copper , crystallography , chemistry , computational chemistry , organic chemistry
The synthesis of the Cu‐borate complexes [(6Mes)Cu(HBR 3 )] featuring the unusual [HBEt 3 ] − ( 5 ) and [HB(C 6 F 5 ) 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–C ipso (C 6 F 5 ) interaction.