Fundamental building blocks of eumelanins: electronic properties of indolequinone-dimers

We present results from the theoretical INDO calculations of the electronic structure for stacked eumelanins’ monomers. As basic indolic components of the eumelanin structure 5,6-dihydroxyindole (DHI or HQ) and its oxidized forms (SQ and IQ) were chosen. The results reveal dependency of electronic p...

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Bibliographic Details
Published in:Chemical physics letters 2003-05, Vol.373 (5), p.532-538
Main Authors: Bochenek, Kinga, Gudowska-Nowak, Ewa
Format: Article
Language:English
Subjects:
Biological and medical sciences
Fundamental and applied biological sciences. Psychology
General aspects
Molecular biophysics
Theory and modeling
computer simulation
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Summary:We present results from the theoretical INDO calculations of the electronic structure for stacked eumelanins’ monomers. As basic indolic components of the eumelanin structure 5,6-dihydroxyindole (DHI or HQ) and its oxidized forms (SQ and IQ) were chosen. The results reveal dependency of electronic properties of such aggregates on monomers’ redox states. They point out also a tendency to localize an extra charge on one of dimers’ subunits that could be suggestive of an electron hopping as a model mechanism for the electron transfer in eumelanins.
ISSN:0009-2614
1873-4448
DOI:10.1016/S0009-2614(03)00629-8