
TY  - JOUR
A1  - Langler, Richard Francis 
A1  - Bewick, Sharon Anne 
T1  - [4];Radialene Dication is an Unusual Hydrocarbon Monocycle: PM3 Evidence for a 4<emph type="2">N</emph>+2 Antiaromatic Structure
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 2000
VL  - 53
IS  - 7
SP  - 623
EP  - 624
KW  - Antiaromatic monocycle; PM3 computations; ground-state multiplicity.
UR  - https://doi.org/10.1071/CH00080 
N2  - A PM3 computational study (RHF method) of radialene dications has uncovered the first non-trivial example of an antiaromatic hydrocarbon monocycle bearing 4N+2 p-electrons. This system has disjoint frontier molecular orbitals and constitutes the first example of a structure with degenerate lowest-lying singlet and triplet states, even though it is not a H&#220;ckel triplet. 
ER  -

