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IPr=1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene
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IPr=1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene.
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85099673646
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IEt, Me, =1,3-diethyl-4,5-dimethylimidazol-2-ylidene
-
2=1,3-diethyl-4,5-dimethylimidazol-2-ylidene.
-
-
-
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46
-
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85099675571
-
-
IMe, =1,3,4,5-tetramethylimidazol-2-ylidene
-
4=1,3,4,5-tetramethylimidazol-2-ylidene.
-
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-
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48
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85099675724
-
-
4 was also formed cleanly upon reaction of 3 with the less fluorinated substrate 1,2,4-C, F, H, although more slowly (see the SI)
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3, although more slowly (see the SI).
-
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49
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85099674565
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See the SI for a study of the stoichiometric reaction of 3 with Ph, SiH
-
3SiH.
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50
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85043946043
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Multiple HDF steps typically require forcing conditions. See Refs. [3f] and [3n]
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Multiple HDF steps typically require forcing conditions. See Refs. [3f] and [3n].
-
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51
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85043874309
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HDF of monofluoarenes has been reported only rarely
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HDF of monofluoarenes has been reported only rarely.
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Ref. [3j]
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55
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Ref. [3k]
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85043919561
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Ref. [3q]
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For examples of NHC substitutio
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For examples of NHC substitution:
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64
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85043893630
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Similar reactivity has been found for more fluorinated substrate
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Similar reactivity has been found for more fluorinated substrates:
-
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70
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75
-
-
85099673437
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-
DFT calculations were run with Gaussian 03/09 and were based on geometries optimized with the BP86 functional. Energies were re-computed with the ωB97XD functional and quoted free energies include a correction for C, H, solvent (PCM approach). See the SI for full details
-
6 solvent (PCM approach). See the SI for full details.
-
-
-
-
76
-
-
85043876057
-
-
Test calculations including the effect of benzene solvent in the optimization procedure gave similar results. See the SI for details
-
Test calculations including the effect of benzene solvent in the optimization procedure gave similar results. See the SI for details.
-
-
-
|