August 05, 2020, 03:43:12 AM
Forum Rules: Read This Before Posting


Topic: Characterizing charge delocalization  (Read 2410 times)

0 Members and 1 Guest are viewing this topic.

Offline kaupmees

  • Very New Member
  • *
  • Posts: 1
  • Mole Snacks: +0/-0
Characterizing charge delocalization
« on: February 17, 2010, 06:16:51 AM »
Is there a characteristic that can be used to characterize charge delocalization in ions (mainly anions like picric acid anion). It should be characterize the molecule as a whole not the impact of some fragments (like Mulliken partial charge, CHelpG...).
In expample if we calculate the characteristic to be 7.8 the charge is more delocalized than in a molecule of characteristic value of 3.5.

Sponsored Links