Synthesis and Characterization of Dimethylbis(2-pyridyl)borate Nickel(II) Complexes: Unimolecular Square-Planar to Square-Planar Rotation around Nickel(II)
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https://figshare.com/articles/dataset/Synthesis_and_Characterization_of_Dimethylbis_2_pyridyl_borate_Nickel_II_Complexes_Unimolecular_Square_Planar_to_Square_Planar_Rotation_around_Nickel_II_/2032314
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资源简介：
The syntheses of novel dimethylbis(2-pyridyl)borate
nickel(II)
complexes 4 and 6 are reported. These complexes
were unambiguously characterized by X-ray analysis. In dichloromethane
solvent, complex 4 undergoes a unique square-planar to
square-planar rotation around the nickel(II) center, for which activation
parameters of ΔH⧧ = 12.2(1)
kcal mol–1 and ΔS⧧ = 0.8(5) eu were measured via NMR inversion recovery experiments.
Complex 4 was also observed to isomerize via a relatively
slow ring flip: ΔH⧧ = 15.0(2)
kcal mol–1; and ΔS⧧ = −4.2(7) eu. DFT studies support the experimentally measured
rotation activation energy (cf. calculated ΔH⧧ = 11.1 kcal mol–1) as well
as the presence of a high-energy triplet intermediate (ΔH = 8.8 kcal mol–1).
创建时间：
2015-12-17
