The isomeric structure of pentacoordinate chiral spirophosphoranes in solution by the combined use of NMR experiments and GIAO DFT calculations of NMR parameters.

@article{Polyancev2017TheIS,
  title={The isomeric structure of pentacoordinate chiral spirophosphoranes in solution by the combined use of NMR experiments and GIAO DFT calculations of NMR parameters.},
  author={Fedor M Polyancev and Kirill E Metlushka and Dilyara N Sadkova and Zilya R Khisametdinova and Olga N. Kataeva and Vladimir A Alfonsov and Shamil K Latypov and Oleg G. Sinyashin},
  journal={Dalton transactions},
  year={2017},
  volume={46 25},
  pages={8146-8156}
}
The interplay of NMR experiments and DFT calculations of NMR parameters is a reliable method for determining the relative configurations of pentacoordinate chiral spirophosphoranes bearing two six- or five-membered rings at the phosphorus atom in solution. The major product of the Betti based derivatives corresponds to the isomers with both substituents at… CONTINUE READING