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Titolo:
TOWARDS EFFICIENT MOLECULAR WIRES AND SWITCHES - THE BROOKER IONS
Autore:
REIMERS JR; CRAW JS; BACSKAY GB; HUSH NS;
Indirizzi:
UNIV SYDNEY,SCH CHEM SYDNEY NSW 2006 AUSTRALIA UNIV SYDNEY,DEPT BIOCHEM SYDNEY NSW 2006 AUSTRALIA
Titolo Testata:
Biosystems
fascicolo: 2-3, volume: 35, anno: 1995,
pagine: 107 - 111
SICI:
0303-2647(1995)35:2-3<107:TEMWAS>2.0.ZU;2-R
Fonte:
ISI
Lingua:
ENG
Soggetto:
NEGATIVE-DEFECT TRANSPOLYACETYLENE; ALPHA,OMEGA-DIPYRIDYL TRANS-POLYENES; INTRAMOLECULAR ELECTRON-TRANSFER; CHARGE-DENSITY WAVE; BRIDGED SYSTEMS; ENERGY-TRANSFER; POLYMETHINECYANINE CATIONS; BIS(PENTAAMMINERUTHENIUM) COMPLEXES; DISTANCE DEPENDENCE; FINITE-LENGTH;
Keywords:
SOLITON; MOLECULAR SWITCH; BROOKER ION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
30
Recensione:
Indirizzi per estratti:
Citazione:
J.R. Reimers et al., "TOWARDS EFFICIENT MOLECULAR WIRES AND SWITCHES - THE BROOKER IONS", Biosystems, 35(2-3), 1995, pp. 107-111

Abstract

In search of materials which may function as molecular wires or switches, analytical models have suggested that the Brooker ions should be particularly interesting. We study them in detail using ab initio, semi-empirical and specially-designed empirical techniques, predicting molecular geometries, charge distributions, and conductivities. Providedmolecular symmetry is maintained, odd polyenes and Brooker ions NH2 -(CH)+(2n-1) - NH2 are shown to conduct significantly better that evenpolyenes, but the advantage becomes a simple multiplicative factor once solitons form (chains of length ca 20 Angstrom). Symmetry lowering is predicted to dramatically decrease the conductivity but introduces the possibility that the Brooker ions may function as molecular switches, having greatly enhanced, switchable, non-linear optical properties.

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Documento generato il 24/11/20 alle ore 10:25:42