Enhancement of the second hyperpolarizability by dσ electrons in one-dimensional tetrametallic transition-metal systems

H. Fukui, M. Nakano, B. Champagne

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    Abstract

    The second hyperpolarizabilities (γ) of the one-dimensional Cr(II) and Mo(II) tetrametallic systems are investigated by focusing on their dependences on the open-shell singlet characters and by comparing with those of their dimetallic analogs. Significant enhancements of γ are observed in tetrametallic systems, which are attributed to the dσ electrons with an intermediate open-shell character. The present results enable us to extend the concept of 'σ-dominant third-order NLO' obtained in dimetallic transition-metal systems to general one-dimensional polymetallic systems.
    Original languageEnglish
    Pages (from-to)11-15
    Number of pages5
    JournalChemical Physics Letters
    Volume527
    DOIs
    Publication statusPublished - 27 Feb 2012

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