The conformational equilibrium in solution was examined by NMR spectroscopy for a series of 7α phenyl 3 borabicyclo[3.3.1]nonane derivatives containing various substituents at the boron atom. The structures of these derivatives were studied in the crystalline state (X ray diffraction analysis) and by quantum chemical calculations (B3Pw91/6 31G*). The B...Ph transannular interactions corresponding to charge transfer from the π system of the phenyl group to the vacant p orbital of the B atom were demonstrated to be responsible for unique stability of the chair-chair conformation of these derivatives.
Organo-boron compounds S 0040Unique Stereochemistry of 3-Borabicyclo[3.3.1]nonane Derivatives. -(GURSKII*, M. E.; LYSSENKO, K. A.; KARIONOVA, A. L.; BELYAKOV, P. A.; POTAPOVA, T. V.; ANTIPIN, M. Y.; BUBNOV, Y. N.; Russ.
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