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Diradical Character View of (Non)Linear Optical Properties

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Excitation Energies and Properties of Open-Shell Singlet Molecules

Part of the book series: SpringerBriefs in Molecular Science ((BRIEFSMAGNET))

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Abstract

In this chapter, we clarify the diradical character dependences of (hyper)polarizabilities, which are molecular origins of (non)linear optical responses, in static and resonant cases based on the diradical character dependences of excitation energies and properties of two-site symmetric and asymmetric diradical models with two electrons in two active orbitals. The analysis results highlight the differences of optical response properties between open-shell and closed-shell molecular systems, and contribute to the construction of novel molecular design guidelines for highly efficient nonlinear optical systems.

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Authors and Affiliations

  1. Division of Chemical Engineering, Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka, 560-8531, Japan

    Masayoshi Nakano

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  1. Masayoshi Nakano
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Correspondence to Masayoshi Nakano .

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Nakano, M. (2014). Diradical Character View of (Non)Linear Optical Properties. In: Excitation Energies and Properties of Open-Shell Singlet Molecules. SpringerBriefs in Molecular Science(). Springer, Cham. https://doi.org/10.1007/978-3-319-08120-5_4

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