Synthesis, Structure, and Solution Dynamic Behavior of Nickel Complexes Bearing a 1,3-Diallyl-Substituted NHC Ligand
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https://figshare.com/articles/dataset/Synthesis_Structure_and_Solution_Dynamic_Behavior_of_Nickel_Complexes_Bearing_a_1_3_Diallyl_Substituted_NHC_Ligand/2198521
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资源简介：
Reaction
of 1,3-diallylimidazolium bromide with 1,1′-dimethylnickelocene
(NiCp′2) afforded [NiCp′(all2-NHC)]+Br– (1a) (all2-NHC
= 1,3-diallylimidazol-2-ylidene) and NiCp′(all2-NHC)Br
(1b), while the reaction of 1,3-diallylimidazolium chloride
with nickelocene gave NiCp(all2-NHC)Cl (2)
and [NiCp(all2-NHC)2]+Cl– (3). Molecular structures of all four complexes have
been established by single-crystal X-ray diffraction. 1H NMR spectra of 1b indicated hindered rotation about
the Ni–carbene bond at room temperature, which resulted in
the nonequivalence of N–CH2 protons. For compounds 2 and 3 the spectra were dynamic at room temperature
and the nonequivalence of N–CH2 protons appeared
at low temperature. These observations were confirmed by DFT calculations.
创建时间：
2016-02-14
