Synthesis, crystal structure and DFT calculations on 2,6-diisopropylphenylcopper: its use in the preparation of dichloro-2,6-diisopropylphenylphosphine

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dc.contributor.authorBoeré, René T.
dc.contributor.authorMasuda, Jason D.
dc.contributor.authorTran, Peter
dc.date.accessioned2019-03-31T22:48:21Z
dc.date.available2019-03-31T22:48:21Z
dc.date.issued2006
dc.descriptionSherpa Romeo green journal. Permission to archive accepted author manuscript.en_US
dc.description.abstractThe 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.en_US
dc.description.peer-reviewYesen_US
dc.identifier.citationBoeré, 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.2006.09.004en_US
dc.identifier.urihttps://hdl.handle.net/10133/5306
dc.language.isoen_USen_US
dc.publisherElsevieren_US
dc.publisher.departmentDepartment of Chemistry and Biochemistryen_US
dc.publisher.facultyArts and Scienceen_US
dc.publisher.institutionUniversity of Lethbridgeen_US
dc.publisher.urlhttps://doi.org/10.1016/j.jorganchem.2006.09.004
dc.subjectOrgancopperen_US
dc.subjectDichlorophosphineen_US
dc.subjectX-ray Crystallographyen_US
dc.subjectNMRen_US
dc.titleSynthesis, crystal structure and DFT calculations on 2,6-diisopropylphenylcopper: its use in the preparation of dichloro-2,6-diisopropylphenylphosphineen_US
dc.typeArticleen_US
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