AM1 Study of the Conformational Properties of (Z,Z)-Cyclonona-1,3-diene
Abstract
The unsymmetrical boat–chair BC conformation of (Z,Z)-cyclonona-1,3-diene is calculated to be 5 kJ mol–1 more stable than the axial-symmetrical twist-boat–chair TBC form; while the calculated energy barrier for limited pseudorotation of BC and TBC is only 10.2 kJ mol–1, ring inversion of BCvia plane-symmetrical boat geometry requires 24.4 kJ mol–1.