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  5. Triangle Type Trinuclear Copper Complexes with Triplet -excitation Luminescent Property, an Ab Initi

Triangle Type Trinuclear Copper Complexes with Triplet -excitation Luminescent Property, an Ab Initi

来源 :结构化学 | 被引量 : 0次 | 上传用户：chenchengDelphi
【摘 要】
：
The luminescent mechanism and properties of a triangular Cu(I) complex, (CuPz)3, have been studied by CIS method. The ground and lowest triplet excitation state
【作 者】
：
MANG Chao-Yong ZHANG Ming-Xin 
【机 构】
：
State Key Laboratory of Structural Chemistry
【出 处】
：
结构化学
【发表日期】
：
2004年期
【关键词】
：
luminescence triplet excitation phosphorescence copper complex 
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The luminescent mechanism and properties of a triangular Cu(I) complex, (CuPz)3, have been studied by CIS method. The ground and lowest triplet excitation state geometries were optimized at MP2/SBKJC and CIS/SBKJC levels, respectively. A remarkable geometry distortion of the lowest triplet state was found and believed to cause the emission spectra to red shift.
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