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The Investigation of NMR parameters of the heptafluoroindenyl cation

Dmitriy S. Fadeev,Igor P. Chuikov,V. M. Karpov,V. I. Mamatyuk

Journal of Fluorine Chemistry（2017）

Cited 7|Views14
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Abstract
•13C and 19F NMR spectra of the heptafluoroindenyl cation were analyzed.•Chemical shifts in NMR spectra were predicted by GIAO/PBE/L22 method.•19F–19F and 13C–19F spin–spin coupling constants were calculated by SOPPA method.•Accuracy of predictions are higher for cation in conjugation with anion as ionic pair.
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NMR,DFT,SOPPA,Computation,Fluorinated,Indenyl cation
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