AM1 treatment of phenolsulfonephthalein

Turker L.

ACH-MODELS IN CHEMISTRY, vol.137, pp.643-652, 2000 (Journal Indexed in SCI) identifier

  • Publication Type: Article / Article
  • Volume: 137
  • Publication Date: 2000
  • Title of Journal : ACH-MODELS IN CHEMISTRY
  • Page Numbers: pp.643-652


Different forms of phenolsulfonephthalein (phenol red) were subjected to semiempirical molecular orbital treatment at the level of AM1-RHF type calculations. All the forms considered were found to be stable and exogenic. However. most of the molecular orbital characteristics of these structures are highly different from each other.