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

Sason Shaik; Avital Shurki; David Danovich; Philippe C. Hiberty

doi:10.1021/cr990363l

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

School of Pharmacy

Research output: Contribution to journal › Review article › peer-review

270 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 language	English
Pages (from-to)	1501-1539
Number of pages	39
Journal	Chemical Reviews
Volume	101
Issue number	5
DOIs	https://doi.org/10.1021/cr990363l
State	Published - May 2001

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10.1021/cr990363l

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title = "A different story of π-delocalization - The distortivity of π-electrons and its chemical manifestations",

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.",

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AB - 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.

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

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