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 |
| Publication status | Published - 1990 |
Fingerprint
ASJC Scopus subject areas
- Chemistry(all)
Cite this
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
}
TY - JOUR
T1 - Electric field induced intramolecular electron transfer in spiro π-electron systems and their suitability as molecular electronic devices. A theoretical study
AU - Farazdel, Abbas
AU - Dupuis, Michel
AU - Clementi, Enrico
AU - Aviram, Ari
PY - 1990
Y1 - 1990
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0000411005&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0000411005&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0000411005
VL - 112
SP - 4206
EP - 4214
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
SN - 0002-7863
IS - 11
ER -