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- W1999898629 abstract "In this work, the interactions between heteroatoms (S, Se, and Te) and conjugated skeletons are analyzed. The study is carried out by using electronic absorption and fluorescence spectroscopies, electrochemistry, vibrational Raman spectroscopy, and theoretical calculations in the framework of DFT and TD-DFT theories. Optical spectra are described in terms of one-electron promotions between orbitals around the energy gap. Electrochemistry, in the framework of the Koopman's approach, is also interpreted. The vibrational Raman spectra are assigned to molecular modes and the evolution changing the heteroatom is addressed and an effective tuning of these properties is found. Part of this modulation is associated with local electronic interactions depending on the relative S, Se, and Te electronegativities. Unconventional long-range heteroatom-heteroatom interactions have been proposed which arise from the existence of effective pi-conjugated channels. The molecular level understanding of structure-property relationships in these organic/inorganic semiconductors are of great interest in the interdisciplinary area of material science." @default.
- W1999898629 created "2016-06-24" @default.
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- W1999898629 date "2006-05-23" @default.
- W1999898629 modified "2023-09-25" @default.
- W1999898629 title "Hybrid Organic Semiconductors Including Chalcogen Atoms in π-Conjugated Skeletons. Tuning of Optical, Redox, and Vibrational Properties by Heavy Atom Conjugation" @default.
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- W1999898629 doi "https://doi.org/10.1021/jp061154p" @default.
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