A different story of π-delocalization - The distortivity of π-electrons and its chemical manifestations

Sason Shaik*, Avital Shurki, David Danovich, Philippe C. Hiberty

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

263 Scopus citations

Abstract

A study on the π-delocalization and distortivity of the π-electrons and its chemical manifestations was presented. The quantum chemical notion of π-delocalization was presented. The thermochemical properties of delocalized species and their relation to vertical resonance energies and π distortivities were discussed. The study also included the structural and spectroscopic manifestations of ground state π-distortivity in benzene, naphthalene, anthracene and antiaromatic molecules.

Original languageAmerican English
Pages (from-to)1501-1539
Number of pages39
JournalChemical Reviews
Volume101
Issue number5
DOIs
StatePublished - May 2001

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