AM1 Study of the Conformational Properties of (Z,Z)-Cyclonona-1,3-diene
Keyword(s):
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 10.2kJ mol−1, ring inversion of BC via plane-symmetrical boat geometry requires 24.4 kJ mol−1.
2005 ◽
Vol 2005
(8)
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pp. 508-515
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1977 ◽
Vol 55
(19)
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pp. 3456-3463
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2001 ◽
Vol 123
(17)
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pp. 4069-4072
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1978 ◽
Vol 56
(11)
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pp. 1538-1544
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1971 ◽
pp. 2469
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