Planarization of 1,3,5,7-cyclooctatetraene as a result of a partial rehybridization at carbon atoms: an MP2/6-31G∗ and B3LYP/6-311G∗∗ study
- 1 June 2002
- journal article
- research article
- Published by Elsevier in Chemical Physics Letters
- Vol. 359 (1-2) , 158-162
- https://doi.org/10.1016/s0009-2614(02)00681-4
Abstract
No abstract availableThis publication has 34 references indexed in Scilit:
- About the Antiaromaticity of Planar Cyclooctatetraene I thank Jens Panitzky for the additional DFT calculations, and Professor Jay Siegel, La Jolla, CA, and Professor Otto Ermer, Cologne, for helpful comments.Angewandte Chemie International Edition in English, 2001
- Structural Aspects of AromaticityChemical Reviews, 2001
- Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity ProbeJournal of the American Chemical Society, 1996
- Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of .pi.-electron systemsJournal of Chemical Information and Computer Sciences, 1993
- Structure of cyclooctatetraene at 129 KActa Crystallographica Section C Crystal Structure Communications, 1988
- Comparative molecular orbital study of the lower annulenesPublished by Walter de Gruyter GmbH ,1986
- Schemes and transformations in the (CH)2k series: Valence isomers of [8]- and [10]annuleneJournal of Chemical Education, 1984
- Diamagnetic susceptibility exaltation as a criterion of aromaticityJournal of the American Chemical Society, 1968
- The Molecular Structure of 1,3,5,7-Cyclo-octatetraene.Acta Chemica Scandinavica, 1966
- Quantentheoretische Beitr ge zum BenzolproblemThe European Physical Journal A, 1931