
TY  - JOUR
A1  - Langler, Richard Francis 
T1  - Non-alternant Hydrocarbon Substituents as Powerful Carbenium-ion Stabilizers: A Graph-theoretical Study with PM3 Support
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 2001
VL  - 54
IS  - 1
SP  - 51
EP  - 57
KW  - 
UR  - https://doi.org/10.1071/CH00095 
N2  - Graph-theoretical arguments establish that some non-fused, even, non-alternant bicycles have unequal numbers of bonding and antibonding orbitals. Both H&#220;ckel and PM3 semiempirical calculations support the contention that such molecules have non-additive &#960;-polarizations relative to the simple &#960;-polarizations of even, non-alternant monocycles. The dicyclopropenyl substituent derived from the corresponding symmetric, contiguous, non-fused, non-alternant bicycle is shown to be a powerful carbocation stabilizer at the PM3 level of theory. Methine cyclopropenyl is shown to be another potent non-alternant carbenium-ion stabilizer. 
ER  -

