Fluctuating Double‐Bond Localization and Charge Migration in π Systems

Edgar Heilbronner*, Sason Shaik

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

In π systems with localized double bonds, the switch from one localization pattern to another symmetry‐equivalent one, and the corresponding changes in electron distribution are often considered to proceed via a delocalized transition state of higher symmetry. We present a different mechanism, according to which the double‐bond localization and the concomitant charge distributions can fluctuate without change in energy and without passing through a delocalized, higher‐symmetry transition state. This result is obtained within a simple, independent‐electron (HMO‐type) treatment.

Original languageEnglish
Pages (from-to)539-556
Number of pages18
JournalHelvetica Chimica Acta
Volume75
Issue number2
DOIs
StatePublished - 18 Mar 1992
Externally publishedYes

Fingerprint

Dive into the research topics of 'Fluctuating Double‐Bond Localization and Charge Migration in π Systems'. Together they form a unique fingerprint.

Cite this