Substituent Effect in 2‑Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X‑ray Diffraction, and Computational Study
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https://figshare.com/articles/dataset/Substituent_Effect_in_2_Benzoylmethylenequinoline_Difluoroborates_Exhibiting_Through_Space_Couplings_Multinuclear_Magnetic_Resonance_X_ray_Diffraction_and_Computational_Study/2453419
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资源简介：
The series of nine 2-benzoylmethylenequinoline difluoroborates
have been synthesized and characterized by multinuclear magnetic resonance,
X-ray diffraction (XRD), and computational methods. The through-space
spin–spin couplings between 19F and 1H/13C nuclei have been observed in solution. The NMR chemical
shifts have been correlated to the Hammett substituent constants.
The crystal structures of six compounds have been solved by XRD. For
two derivatives the X-ray wave function refinement was performed to
evaluate the character of bonds in the NBF2O moiety by
topological and integrated bond descriptors.
创建时间：
2016-02-20
