Symmetry restrictions as starting point for the determination of geometric representations and the dynamics of cyclic π systems
✍ Scribed by Henk Buck
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 480 KB
- Volume
- 77
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
A quasiclassical-state approach was developed for probing π bonding and delocalization energies focused on benzene. A more general picture is now given for neutral n π-conjugated cyclic systems with a geometry distortion from D nh into D 1/2nh (n = 4, 6, 8, . . . , 16), which results in a new aromaticity-antiaromaticity criterion. For n = 6 and 8 the corresponding divalent charged systems were studied in relation to zero-field splittings of the triplet ground state and geometry, respectively. Attention is also given to antiaromatic π-conjugated systems focused on the cyclopropenyl anion, the cyclopentadienyl cation, and the cycloheptatrienyl anion and their relaxed states. c 2000