Optical and Electronic Properties of Molecular Systems Derived from Rhodanine

20 Feb 2019 Madrid-Úsuga Duvalier Melo-Luna Carlos A. Insuasty Alberto Ortiz Alejandro Reina John H.

Push-Pull functional compounds consisting of dicyanorhodanine derivatives have attracted a lot of interest because their optical, electronic, and charge transport properties make them useful as building blocks for organic photovoltaic implementations. The analysis of the frontier molecular orbitals shows that the vertical transitions of electronic absorption are characterized as intramolecular charge transfer; furthermore, we show that the analyzed compounds exhibit bathochromic displacements when comparing the presence (or absence) of solvent as an interacting medium... (read more)

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  • CHEMICAL PHYSICS