Conformational analysis of 1,4-heterophosphinanes
2007
Conformational analysis of 1,4-heterophosphinanes in solution, based on a combination of the dipole moment and Kerr effect methods, molecular mechanics, and quantum-chemical calculations (B3LYP/6-31G*) was performed. It was established that, regardless the second heteroatom in the six-membered phosphorus-containing heterocycle (oxygen, sulfur, or silicon) and phosphorus coordination, these compounds prefer a chair conformation with an equatorial exocyclic phenyl substituent.
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