Investigation on nonlinear optical properties of ladder-structure polydiacetylenes derivatives by using the elongation finite-field method

Wei Chen, Guang tao Yu, Feng Long Gu, Yuriko Aoki

    研究成果: Contribution to journalArticle査読

    21 被引用数 (Scopus)

    抄録

    The ab initio elongation finite-field method is applied to four ladder-structure polydiacetylenes derivatives to investigate the effects of arrangements of donors and acceptors on their nonlinear optical properties. All four systems have large (hyper)poarlizabilities. It is found that the same-direction electron transfer path perpendicular to the molecular axis of ladder-type polydiacetylenes can increase their first hyperpolarizabilities, while the electron transfer path parallel to the molecular axis can effectively increase their second hyperpolarizabilities. It should be mentioned that the random arrangement of donors and acceptors should be avoided in designing the nonlinear optical materials like polydiacetylenes.

    本文言語英語
    ページ(範囲)175-179
    ページ数5
    ジャーナルChemical Physics Letters
    474
    1-3
    DOI
    出版ステータス出版済み - 5 25 2009

    All Science Journal Classification (ASJC) codes

    • 物理学および天文学(全般)
    • 物理化学および理論化学

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