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Cyclic Conjugation Energy Effects in Polycyclic π-Electron Systems

Monatshefte für Chemie - Chemical Monthly, 2005
The fact that cyclic arrangements of double bonds have a dramatic effect on the behavior of conjugated organic molecules is known since the 19th century. The fact that in monocyclic conjugated systems the size of the cycle and the number of π-electrons involved is decisive for their stability (“aromaticity”) or lack of stability (“antiaromaticity”) is ...
Ivan Gutman, Gutman Ivan
openaire   +3 more sources

Energy Component Analysis of the Pseudo-Jahn−Teller Effect in the Ground and Electronically Excited States of the Cyclic Conjugated Hydrocarbons:  Cyclobutadiene, Benzene, and Cyclooctatetraene

The Journal of Physical Chemistry A, 1997
To elucidate the nature of the pseudo-Jahn−Teller (JT) effect, an energy component analysis has been carried out for the ground and electronically excited states of the titled cyclic polyenes by using the MCSCF method with 6-31G(d) basis set. Examination of the energy components comprised in the total energy reveals that in the ground state of planar ...
Shiro Koseki, Azumao Toyota
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Pairwise energy effect of cyclic conjugation in benzo-annelated perylenes

Monatshefte Für Chemie, 2010
Ivan Gutman   +2 more
exaly  

CYCLIC CONJUGATION IN PYRACYLENE

Polycyclic Aromatic Compounds, 2008
Ivan Gutman, Boris Furtula
exaly  

Cyclic Conjugation Effects in Cyclacenes

Polycyclic Aromatic Compounds, 1996
Ivan Gutman   +2 more
exaly  

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