Solvent-dependent crystallization of 1-hydro-6-carbaphosphatrane and its tautomer.

@article{Nakafuji2005SolventdependentCO,
  title={Solvent-dependent crystallization of 1-hydro-6-carbaphosphatrane and its tautomer.},
  author={Shin-ya Nakafuji and Junji Kobayashi and Takayuki Kawashima and Michael W. Schmidt},
  journal={Inorganic chemistry},
  year={2005},
  volume={44 19},
  pages={
          6500-2
        }
}
1-Hydro-6-carbaphosphatrane 2 was obtained as a mixture with its tautomer, 3. Tautomers 2 and 3 were isolated by the recrystallization from different solvents, respectively, and each structure was determined by X-ray crystallographic analysis. Variable-temperature NMR experiments revealed that pentacoordinate 2 and tricoordinate 3 are under the equilibrium, showing that 3 is more stable. The theoretical calculations found a weaker transannular PC bond in 2 than in 1-hydro-5-carbaphosphatrane, 1… CONTINUE READING
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