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All stated yields are relative to the total amount of starting material, with reactions run until the starting material was completely consumed, unless stated otherwise
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All stated yields are relative to the total amount of starting material, with reactions run until the starting material was completely consumed, unless stated otherwise.
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21
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To be more precise, we can switch on or off the formation of the migration product. The present evidence does not directly speak to whether the migration is slowed or whether the coupling reactions are accelerated
-
To be more precise, we can switch on or off the formation of the migration product. The present evidence does not directly speak to whether the migration is slowed or whether the coupling reactions are accelerated.
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22
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Energies are for gas phase calculations, including zero-point energies. Basis sets are as follows: C and H, 6-31G(d); N and O, 6-311+G(2d); P, 6-311 +G(3df); I, LANL2DZ + s and p diffuse functions and d and f polarization functions; Pd, LANL2DZ with f polarization functions.
-
Energies are for gas phase calculations, including zero-point energies. Basis sets are as follows: C and H, 6-31G(d); N and O, 6-311+G(2d); P, 6-311 +G(3df); I, LANL2DZ + s and p diffuse functions and d and f polarization functions; Pd, LANL2DZ with f polarization functions.
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23
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For leading mechanistic studies suggesting electrophilic species in intramolecular C-H activation by palladium, see refs 24-27
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For leading mechanistic studies suggesting electrophilic species in intramolecular C-H activation by palladium, see refs 24-27.
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For a Pt(IV) hydride, see refs 40 and 41.
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Computations on the enthalpies of the corresponding naked anions of model biaryls are qualitatively consistent with the product distributions, although the energy differences are much larger than our observed product distributions justify. See the Supporting Information for these data and a brief discussion
-
Computations on the enthalpies of the corresponding naked anions of model biaryls are qualitatively consistent with the product distributions, although the energy differences are much larger than our observed product distributions justify. See the Supporting Information for these data and a brief discussion.
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