Effects of structural variations on the optical and electronic properties of eumelanin-inspired small molecules

In this work, five new eumelanin-inspired indole small molecules have been synthesized which differ by the substituents attached to the para position of the phenylene ring. The effects of structural variations on the optoelectronic properties of these molecules have been studied by combining both sy...

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Veröffentlicht in:	Journal of materials chemistry. C, Materials for optical and electronic devices Materials for optical and electronic devices, 2016-01, Vol.4 (18), p.3995-3999
Hauptverfasser:	Selvaraju, Subhashini, Adhikari, Santosh, Hopson, RaiAnna A, Dai, Shuo, Rheingold, Arnold L, Borunda, Mario F, Nelson, Toby L
Format:	Artikel
Sprache:	eng
Schlagworte:	Density functional theory Eigenvalues Molecular orbitals Optical properties Optoelectronics Photonic band gaps Protonation Time dependence
Online-Zugang:	Volltext
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