While 1H, 13C, and 31P NMR are commonly used in organometallic chemistry to characterize complexes, there are few examples in the literature of organometallic compounds that have been extensively characterized using both multidimensional and multinuclear NMR techniques. The complex (PNP)Ti(CH2tBu)(?2-CH=CH) was synthesized from vinyl Grignard and a transient titanium alkylidyne and was fully characterized via NMR spectroscopic techniques, including dqCOSY, HSQC, HMBC, HOESY, and EXSY.  Through a series of reactions with vinylMgCl, 2-methyl-1-propenylMgBr, isopropenylMgBr, and 1-propenylMgBr, it was shown via 1H NMR spectroscopy that �-hydrogen migration is favored over a-hydrogen migration. Selective decoupling NMR experiments with the products of isopropenylMgBr and 1-propenylMgBr reactions with (PNP)Ti=CHtBu(OTf) illustrate that the two products (PNP)Ti(CH2tBu)(?2-CH=C-CH3) are the same, rather than forming a mixture of isomers.

β-Hydrogen abstraction of vinylic hydrogens to form alkynes: Multidimensional and multinuclear NMR spectroscopic studies elucidating structural solution behavior of η<sup>2</sup>-alkyne complexes of titanium

245th National Meeting (2013)

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β-Hydrogen abstraction of vinylic hydrogens to form alkynes: Multidimensional and multinuclear NMR spectroscopic studies elucidating structural solution behavior of η2-alkyne complexes of titanium

β-Hydrogen abstraction of vinylic hydrogens to form alkynes: Multidimensional and multinuclear NMR spectroscopic studies elucidating structural solution behavior of η²-alkyne complexes of titanium