Molecular design on substituted DAST derivatives for second-order nonlinear optics

Hirohito Umezawa, Kyoko Tsuji, Shuji Okada, Hidetoshi Oikawa, Hiro Matsuda, Hachiro Nakanishi

    Research output: Contribution to journalArticlepeer-review

    34 Citations (Scopus)


    Molecular design of the derivatives of 1-methyl-4-(2-(4-(dimethylamino)phenyl)ethynyl)pyridinium (DAS) was investigated from the following two points, i.e., simple substitution of one aromatic hydrogen atom to enhance hyperpolarizability β and fluorine substitution to decrease optical loss due to overtones of C-H bond vibration. By the screening using semiempirical calculation, 2-cyano-1-methyl-4-(2-(4-(dimethylamino)phenyl)ethynyl)pyridinium 7, 2,3,5,6-tetrafluoro-1-methyl-4-(2-(4-(dimethylamino)-2,3,5,6-tetrafluorophenyl)e thynyl)pyridinium 10, etc. were expected to have larger β than that of DAS. The salts of 7 and 1-methyl-4-(2-(4-(dimethylamino)-2,3,5,6-tetrafluorophenyl)ethynyl)pyridinium as a related cation of 10 were synthesized and four crystals showing second-harmonic generation were found.

    Original languageEnglish
    Pages (from-to)75-78
    Number of pages4
    JournalOptical Materials
    Issue number1-3
    Publication statusPublished - 2003 Jan


    • Cyanylation
    • DAST
    • Fluorination
    • Second-order nonlinear optical material
    • Stilbazolium

    ASJC Scopus subject areas

    • Electronic, Optical and Magnetic Materials
    • Computer Science(all)
    • Atomic and Molecular Physics, and Optics
    • Spectroscopy
    • Physical and Theoretical Chemistry
    • Organic Chemistry
    • Inorganic Chemistry
    • Electrical and Electronic Engineering


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