
TY  - JOUR
A1  - Brown, RD 
A1  - Heffernan, ML 
T1  - The ' Variable Electronegativity ' Method. III. The Pyrrole Anion and Electronegativity Reversal
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1959
VL  - 12
IS  - 3
SP  - 330
EP  - 334
KW  - 
UR  - https://doi.org/10.1071/CH9590330 
N2  - The &#960;-electron distribution in the pyrrole anion has been evaluated by the VESCF method using two alternative methods of estimating core attraction terms. The results indicate that the &#960;-electron distribution around the conjugated system is very nearly uniform, supporting previous speculations that the relative attracting powers of tertiary nitrogen and carbon reverse when their &#960;-electron densities exceed a certain value, suspected to be not too much greater than unity. The present calculations indicate that the critical &#960;-electron density is around 1.2.  The VESCF estimates of ionization potentials of the pyrrole anion are also reported. 
ER  -

