TY - JOUR
T1 - Exploring the coordination chemistry of 1-benzoyl-4,5-dihydro-3,5- bis(trifluoromethyl)-1H-pyrazol-5-ol to copper
AU - Someya, Chika I.
AU - Inoue, Shigeyoshi
AU - Enthaler, Stephan
N1 - Funding Information:
Financial support from the Cluster of Excellence “Unifying Concepts in Catalysis” ( EXC 314/1 ; www.unicat.tu-berlin.de ; funded by the Deutsche Forschungsgemeinschaft and administered by the Technische Universität Berlin) is gratefully acknowledged. Chika I. Someya thanks the Berlin International Graduate School of Natural Sciences and Engineering (BIG NSE) for ideational support. Moreover, Dr. Eckhard Bill (Max Planck Institute for Chemical Energy Conversion) is thanked for EPR measurements and Dr. Ba Tran (University of California, Berkeley) is thanked for supporting this work.
PY - 2013
Y1 - 2013
N2 - The coordination chemistry of the ligand 1-benzoyl-4,5-dihydro-3,5- bis(trifluoromethyl)-1H-pyrazol-5-ol (1a) has been recently investigated. In dependency of the metal (e.g., nickel, zinc, molybdenum) and the added co-ligand (phosphanes, pyridines, amines) different coordination modes were feasible (e.g., O,N,O′, O,N, O,O′). Herein we present the reaction of 1a with Cu(OAc)2 and triphenylphosphane as co-ligand to form the copper complex 2 [Cu(1a-H)(PPh3)2]. The complex was characterized and investigated by various techniques, pointing out a new bidentate coordination mode of the ligand. In more detail, X-ray crystallography determined a N,O-coordination in which the ligand is planar and the other coordination sites on the copper centre are occupied by two PPh3 creating a tetrahedral coordination geometry. Moreover, the complex has been applied as precatalyst in the copper-catalyzed amination of aliphatic C-H bonds.
AB - The coordination chemistry of the ligand 1-benzoyl-4,5-dihydro-3,5- bis(trifluoromethyl)-1H-pyrazol-5-ol (1a) has been recently investigated. In dependency of the metal (e.g., nickel, zinc, molybdenum) and the added co-ligand (phosphanes, pyridines, amines) different coordination modes were feasible (e.g., O,N,O′, O,N, O,O′). Herein we present the reaction of 1a with Cu(OAc)2 and triphenylphosphane as co-ligand to form the copper complex 2 [Cu(1a-H)(PPh3)2]. The complex was characterized and investigated by various techniques, pointing out a new bidentate coordination mode of the ligand. In more detail, X-ray crystallography determined a N,O-coordination in which the ligand is planar and the other coordination sites on the copper centre are occupied by two PPh3 creating a tetrahedral coordination geometry. Moreover, the complex has been applied as precatalyst in the copper-catalyzed amination of aliphatic C-H bonds.
KW - Catalysis
KW - Copper
KW - DFT calculations
KW - N,O-ligand
KW - Phosphane ligands
UR - https://www.scopus.com/pages/publications/84887168653
U2 - 10.1016/j.inoche.2013.10.016
DO - 10.1016/j.inoche.2013.10.016
M3 - Article
AN - SCOPUS:84887168653
SN - 1387-7003
VL - 38
SP - 131
EP - 134
JO - Inorganic Chemistry Communications
JF - Inorganic Chemistry Communications
ER -