Unambiguous assessments of reaction paths for selected pericyclic reactions

Abstract

Recebido em 5/11/99; aceito em 17/1/00Four commonplace concerted reactions are examined using (i) correlation diagrams, (ii) frontier molecular orbital analyses for transition states, (iii) Zimmerman-Dewar analyses for transition states and (iv) modified Zimmerman-Dewar analyses for transition states. Only the latter approach is consistently satisfactory.

The trouble with resonance energies: a Hückel theory topic

“…Although Hückel theory can be helpful for a range of structural and behavioural problems associated with organic molecules [9][10][11][12][13][14][15] , the notion of resonance energies has been troublesome.…”