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Designing The Molecular System(Donor-Nanobridge-Acceptor) Employing the Aviram-Ratner Model

Authors(2):

Hamid. I. Abbood, Khalid Jabbar Mutashar
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Present study depends on Aviram – Ratner model to designing molecular electronic system as a donor -nanobridge - acceptor and calculating the geometrical parameters and energies for the D- NB-A molecular system and it is components by B3LYP/DFT Calculations. The LUMO-HOMO energy gap for the studied structures showed that the substituents adding to the phenyl ring lead to a new electronic materials and the D-NB-A molecular system has a suitable small energy gap. The results showed that the new D-NB-A molecular system is more reactive in charge transfer processes compared with it is components.

Hamid. I. Abbood, Khalid Jabbar Mutashar

Donor-NanoBridge-Acceptor Molecular System, energy gap, HOMO, LUMO, B3LYP/DFT Calculations and polarizability

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Publication Details

Published in : Volume 1 | Issue 6 | November-December - 2015
Date of Publication Print ISSN Online ISSN
2015-12-25 2395-1990 2394-4099
Page(s) Manuscript Number   Publisher
457-461 IJSRSET151528   Technoscience Academy

Cite This Article

Hamid. I. Abbood, Khalid Jabbar Mutashar , "Designing The Molecular System(Donor-Nanobridge-Acceptor) Employing the Aviram-Ratner Model", International Journal of Scientific Research in Science, Engineering and Technology(IJSRSET), Print ISSN : 2395-1990, Online ISSN : 2394-4099, Volume 1, Issue 6, pp.457-461, November-December-2015.
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