Organometallics
Article
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28) For related mechanistic DFT studies of other Ni /NHC-
0
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10) I Bu = 1,3-di-tert-butylimidazol-2-ylidene.
11) ICy = 1,3-dicyclohexylimidazol-2-ylidene.
12) IAd = 1,3-bis(adamantan-1-yl)imidazol-2-ylidene.
13) IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene.
14) SIPr = 1,3-bis(2,6-diisopropylphenyl)-4,5 dihydroimidazol-2-
ylidene.
(
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15) IMes = 1,3-dimesitylimidazol-2-ylidene
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000, 122, 4994. (b) Takahashi, T.; Tsai, F. Y.; Li, Y.; Kondo, Y.;
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5
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17) NMR yield.
(
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W. A. Angew. Chem., Int. Ed. 2001, 40, 3387.
(
19) dippe = diisopropylphosphinoethane.
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2
21) Chemical shifts were verified by H NMR observation of in situ
generation of Ni(IPr-d ) by the reaction of Ni(COD) and IPr-d
2
2
2
2
with C D as an internal standard.
6
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dx.doi.org/10.1021/om400666k | Organometallics 2013, 32, 4952−4960