
TY  - JOUR
A1  - Haddon, RC 
T1  - Quantum chemical studies in the design of organic metals. III. Odd-alternant hydrocarbons&#8211;The phenalenyl (ply) system
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1975
VL  - 28
IS  - 11
SP  - 2343
EP  - 2351
KW  - 
UR  - https://doi.org/10.1071/CH9752343 
N2  - The MINDO/3 SCF MO method has been used to investigate the equilibrium geometries, electronic structure and ground state properties of ply and its univalent ions. The results indicate that ply has a low energy of disproportionation and that electron addition or removal leads to little structural change. From an analysis of the results it is concluded that odd-alternant hydrocarbons, and systems based on the ply nucleus in particular, have many of the characteristics which are considered to be important in the design of organic metals and superconductors. 
ER  -

