Synthesis, characterization, and theoretical studies of group 4 amido hydrotris(pyrazolyl)borate complexes.
Titanium and zirconium amido complexes containing a hydrotris(pyrazolyl)borate (Tp) or hydrotris(3,5-dimethylpyrazolyl)borate (Tp*) ligand TpM(NMe(2))(3) (M = Ti, 1; M = Zr, 2) and Tp*M(NMe(2))(3) (M = Ti, 3; M = Zr, 4) were prepared by the reactions of M(NMe(2))(3)Cl (M = Ti, Zr) with sodium hydridotris(pyrazol-1-yl)borate and potassium hydridotris(3,5-dimethylpyrazol-1-yl)borate, respectively. The structures of 1, 2, and 4.CH(2)Cl(2) were determined by X-ray diffraction and show octahedral coordination geometry around the metal centers. Density functional theory calculations at the B3PW91 level were performed to understand the orientations and the rotational behavior of amido ligands in these metal complexes.
Cai
Hu
H
Department of Chemistry, The University of Tennessee, Knoxville, TN 37996, USA.
Lam
Wai Han
WH
Yu
Xianghua
X
Liu
Xiaozhan
X
Wu
Zhong-Zhi
ZZ
Chen
Tianniu
T
Lin
Zhenyang
Z
Chen
Xue-Tai
XT
You
Xiao-Zeng
XZ
Xue
Ziling
Z