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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Résumé

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.
langue originaleAnglais
Pages (de - à)11-15
Nombre de pages5
journalChemical Physics Letters
Volume527
Les DOIs
étatPublié - 27 févr. 2012

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Transition metals
transition metals
analogs
Electrons
augmentation
electrons

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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.",
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Enhancement of the second hyperpolarizability by dσ electrons in one-dimensional tetrametallic transition-metal systems. / Fukui, H.; Nakano, M.; Champagne, B.

Dans: Chemical Physics Letters, Vol 527, 27.02.2012, p. 11-15.

Résultats de recherche: Contribution à un journal/une revueArticle

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T1 - Enhancement of the second hyperpolarizability by dσ electrons in one-dimensional tetrametallic transition-metal systems

AU - Fukui, H.

AU - Nakano, M.

AU - Champagne, B.

PY - 2012/2/27

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AB - 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.

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