
TY  - JOUR
A1  - Langler, Richard F. 
T1  - Non-Alternant Hydrocarbon Polycycles: Signs of Unusual Reactivity
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 2002
VL  - 55
IS  - 11
SP  - 715
EP  - 725
KW  - 
UR  - https://doi.org/10.1071/CH02102 
N2  - A connection is developed between typical characteristic polynomial coefficient sign patterns and &#916;, the difference between the numbers of &#960;-bonding and &#960;-antibonding molecular orbitals for hydrocarbons. A link is revealed between &#916; and dominant Sachs&#39; subgraphs for the non-zero characteristic polynomial coefficient that is closest to the end of the polynomial. Through the intermediacy of the appropriate Sachs&#39; subgraphs, the connection between a given Lewis structure and &#916; is clarified. Exploiting the Sachs&#39; subgraphs, one can redesign non-alternant hydrocarbon structures to alter &#960;-system stability and, therefore, the kinetic stability of interesting molecules. A PM3 test of this methodology is provided in the accompanying paper. 
ER  -

