Synthesis, characterization and theoretical investigation of the structure, electronic and third-order nonlinear optical (NLO) properties of M(dnpi) 2 (M = Mn2+ and Ni2+)

Synthetic Metals(2013)

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摘要
•Two coordination compounds have determined by X-ray diffraction technique.•The geometry and molecular orbitals are calculated based on LANL2DZ/B3LYP.•The third NLO properties were measured by the Z-scan technique.
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关键词
Coordination compounds,Crystal structure,X-ray diffraction,Nonlinear optical properties,Z-scan technique,DFT method
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