Electric Field Induced Intramolecular Electron Transfer in Spiro π-Electron Systems and Their Suitability as Molecular Electronic Devices. A Theoretical Study

Abbas Farazdel; Michel Dupuis; Enrico Clementi; Ari Aviram

doi:10.1021/ja00167a016

Electric Field Induced Intramolecular Electron Transfer in Spiro π-Electron Systems and Their Suitability as Molecular Electronic Devices. A Theoretical Study

Abbas Farazdel, Michel Dupuis, Enrico Clementi, Ari Aviram

Pacific Northwest National Laboratory

Research output: Contribution to journal › Article › peer-review

325 Citations (Scopus)

Abstract

Intramolecular electron-transfer properties and their dependence on an external electric field are studied for a typical rigid spiro π-σ-π molecular cation by ab initio MO methods. Our study indicates that the molecule exhibits characteristics appropriate for molecular device applications. Formulas and algorithms are presented for the calculation of the ubiquitous electron-transfer matrix element.

Original language	English
Pages (from-to)	4206-4214
Number of pages	9
Journal	Journal of the American Chemical Society
Volume	112
Issue number	11
DOIs	https://doi.org/10.1021/ja00167a016
Publication status	Published - 1990

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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10.1021/ja00167a016

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Electric Field Induced Intramolecular Electron Transfer in Spiro π-Electron Systems and Their Suitability as Molecular Electronic Devices. A Theoretical Study. / Farazdel, Abbas; Dupuis, Michel; Clementi, Enrico; Aviram, Ari.

In: Journal of the American Chemical Society, Vol. 112, No. 11, 1990, p. 4206-4214.

Research output: Contribution to journal › Article › peer-review

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