Synthesis, crystal structure and DFT calculations on 2,6-diisopropylphenylcopper: its use in the preparation of dichloro-2,6-diisopropylphenylphosphine
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Date
2006
Authors
Boeré, René T.
Masuda, Jason D.
Tran, Peter
Journal Title
Journal ISSN
Volume Title
Publisher
Elsevier
Abstract
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.
Description
Sherpa Romeo green journal. Permission to archive accepted author manuscript.
Keywords
Organcopper , Dichlorophosphine , X-ray Crystallography , NMR
Citation
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