Synthesis and molecular structure of a novel 9-BBN organohydroborate bis(cyclopentadienyl) zirconium complex [ZrCp2(OBBN)]2

INOR 183

Jang-Hoon Chung, chungjh@mju.ac.kr, Department of Chemistry, Myongji University, San 38-2 Namdong, Yongin, Gyeonggido, 449-728, South Korea and S. G. Shore, shore.1@osu.edu, Department of Chemistry, Ohio State University, 120 W. 18th Avenue, Columbus, OH 43210.
The novel 9-borabicyclo[3.3.1]nonane organohydroborate bis(cyclopentadienyl) zirconium dimer complex [ZrCp2(OBBN)]2 was prepared in the reaction of oxygen bridged zirconium dimer [ZrCp2Cl]2O with potassium 9-borabicyclo[3.3.1]nonane. The complex was characterized by proton and boron NMR and IR spectroscopies and the molecular structure by single-crystal X-ray analysis. 9-BBN organohydroborate lgand is attached to a Zr atom through Zr-H-B and Zr-O-B bridge atoms. Two ZrCp2 fragments are linked by two bridging groups through a hydrogen and oxygen atoms which are bonded to 9-BBN. The proton NMR spectrum shows a broad peak at -3.33 ppm which is assigned to a bridge hydrogen and the boron NMR spectrum shows a peak at 55.46 ppm which is assigned to a boron atom of 9-BBN. The crystal system is a monoclinic. R1 and wR2 are 0.0222 and 0.0520, respectively.