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Lin JH, Elangovan A, Ho TI. Structure-property relationships in conjugated donor-acceptor molecules based on cyanoanthracene: computational and experimental studies. J Org Chem. 2005;70(18):7397-407doi: 10.1021/jo051183g.
Lin, J. H., Elangovan, A., & Ho, T. I. (2005). Structure-property relationships in conjugated donor-acceptor molecules based on cyanoanthracene: computational and experimental studies. The Journal of organic chemistry, 70(18), 7397-407. https://doi.org/10.1021/jo051183g
Lin, Jui-Hsien, et al. "Structure-property relationships in conjugated donor-acceptor molecules based on cyanoanthracene: computational and experimental studies." The Journal of organic chemistry vol. 70,18 (2005): 7397-407. doi: https://doi.org/10.1021/jo051183g
Lin JH, Elangovan A, Ho TI. Structure-property relationships in conjugated donor-acceptor molecules based on cyanoanthracene: computational and experimental studies. J Org Chem. 2005 Sep 02;70(18):7397-407. doi: 10.1021/jo051183g. PMID: 16122265.
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J Org Chem. 2005 Sep 02;70(18):7397-407. doi: 10.1021/jo051183g.

Structure-property relationships in conjugated donor-acceptor molecules based on cyanoanthracene: computational and experimental studies.

The Journal of organic chemistry

Jui-Hsien Lin, Arumugasamy Elangovan, Tong-Ing Ho

Affiliations

  1. Department of Chemistry, National Taiwan University, Taipei - 106, Taiwan.

PMID: 16122265 DOI: 10.1021/jo051183g

Abstract

[reaction: see text] Two series of pi-conjugated bipolar compounds, namely, 9-phenyl-10-anthronitriles (PAN series) and 9-phenylethynyl-10-anthronitriles (PEAN series), having inherent redox centers have been synthesized and their electronic absorption, fluorescence emission, and electrochemical behavior have been studied. Electrochemiluminescence of these molecules bearing weak, strong, and spin-polarized donors is also studied. The observed electronic properties are explained with the help of results obtained from density functional theory (DFT- B3LYP/6-31G) calculations. The structure-property relationships of all the molecules are discussed.

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