Abstract
Surprisingly, the anti-aromatic paratropic ring current of the planar D4h transition state of 1,3,5,7-cyclooctatetraene (COT) survives almost all the way to the equilibrium tub-shaped D2d COT structure (plane-to-plane distance, d = 0.76 A); the current vanishes at ca. 80% of the geometric change and ca. 90% of the energy change from planar to tub geometry.
Original language | Undefined/Unknown |
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Pages (from-to) | 1255-1258 |
Number of pages | 4 |
Journal | Organic Letters |
Volume | 8 |
Issue number | 7 |
Publication status | Published - 2006 |