Synthesis, crystal structure and DFT calculations on 2,6-diisopropylphenylcopper: its use in the preparation of dichloro-2,6-diisopropylphenylphosphine
Boeré, René T.
Masuda, Jason D.
The homoleptic aryl copper reagent [Cu4Dipp4] (Dipp = 2,6-diisopropylphenyl) has been prepared and structurally characterized by a single-crystal X-ray diffraction study. Its tetrameric structure differs in significant details from that of the previously reported [Cu4Tripp4] (Tripp = 2,4,6-triisopropylphenyl). The electronic structure of the cluster has been probed through B3LYP/6-3111G(2d,p)//B3LYP/6-31G calculations on [Cu4Ph4] constrained to D2d symmetry. The utility of the new copper reagent is demonstrated by the preparation of pure DippPCl2, for which the crystal structure is also reported.
Sherpa Romeo green journal. Permission to archive accepted author manuscript.
Organcopper , Dichlorophosphine , X-ray Crystallography , NMR
Boeré, R. T., Masuda, J. D., & Tran, P. (2006). Synthesis, crystal structure and DFT calculations on 2,6-diisopropylphenylcopper: Its use in the preparation of dichloro-2,6-Diisopropylphenylphosphine. Journal of Organometallic Chemistry, 691(26), 5585-559. doi:10.1016/j.jorganchem.2006.09.004