Second hyperpolarizabilities of singlet diradical compounds and their radical ions

H. Fukui, K. Yoneda, E. Botek, B. Champagne, M. Nakano

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Abstract

We investigate the second hyperpolarizabilities (γ) of singlet diradical s-indacene and its radical anion. It is found that the neutral s-indacene, which has an intermediate diradical character, exibits a positive γ value, while its radical anion does a negative γ value. Moreover, the magnitude of the γ value of s-indacene radical anion turns out to be significantly larger than that of neutral s-indacene. We also examine several singlet diradical 1,3-dipoles and their radical cations. On the basis of these results, we discuss the charging effects on γ in singlet diradical systems.
Original languageEnglish
Pages (from-to)852-855
Number of pages4
JournalAIP Conference Proceedings
Volume1504
DOIs
Publication statusPublished - 1 Jan 2012

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Second hyperpolarizabilities of singlet diradical compounds and their radical ions. / Fukui, H.; Yoneda, K.; Botek, E.; Champagne, B.; Nakano, M.

In: AIP Conference Proceedings, Vol. 1504, 01.01.2012, p. 852-855.

Research output: Contribution to journalArticle

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AU - Fukui, H.

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AB - We investigate the second hyperpolarizabilities (γ) of singlet diradical s-indacene and its radical anion. It is found that the neutral s-indacene, which has an intermediate diradical character, exibits a positive γ value, while its radical anion does a negative γ value. Moreover, the magnitude of the γ value of s-indacene radical anion turns out to be significantly larger than that of neutral s-indacene. We also examine several singlet diradical 1,3-dipoles and their radical cations. On the basis of these results, we discuss the charging effects on γ in singlet diradical systems.

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