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

H. Fukui; M. Nakano; B. Champagne

doi:10.1016/j.cplett.2012.01.020

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 language	English
Pages (from-to)	11-15
Number of pages	5
Journal	Chemical Physics Letters
Volume	527
DOIs	https://doi.org/10.1016/j.cplett.2012.01.020
Publication status	Published - 27 Feb 2012

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10.1016/j.cplett.2012.01.020

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

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.",

author = "H. Fukui and M. Nakano and B. Champagne",

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AU - Fukui, H.

AU - Nakano, M.

AU - Champagne, B.

PY - 2012/2/27

Y1 - 2012/2/27

N2 - 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.

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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U2 - 10.1016/j.cplett.2012.01.020

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VL - 527

SP - 11

EP - 15

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

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

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

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