Second-order nonlinear optical properties of transition metal clusters [MoS4Cu4X2Py2] (M = Mo, W; X = Br, I)

文献情報

出版日 2009-04-24

DOI 10.1039/B903582F

インパクトファクター 3.676

著者

Qiaohong Li, Kechen Wu, Yongqin Wei, Rongjian Sa, Yiping Cui, Canggui Lu, Jing Zhu, Jiangang He

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要旨

We present in this paper the second-order nonlinear optical properties of a series of penta-nuclear metal clusters [MS4Cu4X2Py6] (M = Mo, W; X = Br, I) on the basis of the hyper-Rayleigh scattering experiments and the first-principle calculations (TDDFT). The measurements obtain the notably large dynamic quadratic hyperpolarizabilities at 1064 nm [β(−2ω, ω, ω) values are around 200 × 10−30 esu] and, by extrapolation, a large static values around 60 × 10−30 esu. The computational results of the electronic excitation energies and quadratic hyperpolarizabilities by TDDFT method are in good agreement with the experimental values and by careful examination they are both dependent on the nature of the metals. The in-depth analysis of the mechanism for the second-order response unambiguously shows the evidence of the contribution of direct metal–metal interaction charge transfers. This provides a new tool to tune nonlinear optical properties in exploiting metal cluster materials and molecular devices.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Second-order nonlinear optical properties of transition metal clusters [MoS4Cu4X2Py2] (M = Mo, W; X = Br, I)

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