Volume 45 - Issue 1 - 55 - 66

Validation of the Charge Equalization Principles during the Formation of Small Molecules

Yük Dengelenme Prensiplerinin Küçük Moleküllerin Oluşumundaki Geçerliliği

The electrophilicity equalization principle recently presented by Chattaraj and his co-workers has been criti- cized by Szentpaly. In the present report, we found that the charge equalization process for small molecule is successfully depicted by the geometrical mean models but for very big molecules the existing geometrical mean models failed to depict the charge equalization scenario. The expressed good agreement between the results obtained from our equation and the results obtained from geometric mean equation vide supra, leads us to conclude that Chattaraj’s geometric mean equation and other equalization principles are still useful and cannot be ignored completely. 

Download Article in PDF (321 kB)

  • ISSN 1303 5002
  • © 1973-2018 Hacettepe University