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Issue 36, 2016
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New anisopleural spindle-like nonlinear optic (NLO) chromophores with a D–D′–π–A′–A or D–A′–π–D′–A structure: interesting optical behavior and DFT calculation results

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Abstract

A new series of anisopleural spindle-like chromophores which have both auxiliary donors and acceptors on their conjugated bridge has been designed and synthesized for the first time. The auxiliary donors and acceptors were introduced close to the donors and acceptors respectively and formed D–D′–π–A′–A structure chromophores termed S-chromophores. The opposite D–A′–π–D′–A structure chromophores are termed F-chromophores. The structure–properties relationship based on these anisopleural spindle-like chromophores has been investigated via1H-NMR, UV-vis characterization and DFT theoretical calculations. S-Chromophores displayed varied chemical shifts of the double-bond proton and a red-shifted maximum absorption wavelength (λmax) as well as a larger absorption intensity (ε) compared to the F-chromophores, indicating that the intermolecular charge transfer has been influenced by the structures. Moreover, the red-shifted λmax and larger ε indicate a more efficient intermolecular charge transfer which should in turn lead to an increased hyperpolarizability (β) for a given class structure of chromophores. The theoretical calculation β values of the S-chromophores showing an increase further rationalize the experimental results. In this way, the structure–properties relationship has been investigated and established.

Graphical abstract: New anisopleural spindle-like nonlinear optic (NLO) chromophores with a D–D′–π–A′–A or D–A′–π–D′–A structure: interesting optical behavior and DFT calculation results

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Publication details

The article was received on 16 May 2016, accepted on 08 Aug 2016 and first published on 09 Aug 2016


Article type: Paper
DOI: 10.1039/C6TC02016J
Citation: J. Mater. Chem. C, 2016,4, 8392-8398
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    New anisopleural spindle-like nonlinear optic (NLO) chromophores with a D–D′–π–A′–A or D–A′–π–D′–A structure: interesting optical behavior and DFT calculation results

    C. Li, M. Li, Y. Li, Z. Shi, Z. Li, X. Wang, J. Sun, J. Sun, D. Zhang and Z. Cui, J. Mater. Chem. C, 2016, 4, 8392
    DOI: 10.1039/C6TC02016J

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