An non-centrosymmetric mononuclear Zr complex exhibiting UV second-harmonic-generation

被引:0
作者
Han, Cai-Yun [1 ]
Qu, Mei [1 ]
Dang, Qin-Qin [1 ]
Zhang, Xian-Ming [1 ]
机构
[1] Shanxi Normal Univ, Sch Chem & Mat Sci, Linfen 041004, Shanxi, Peoples R China
关键词
Zr-IV; N; N-dimethylpropyleneurea; non-centrosymmetric; second-harmonic generation; STRUCTURE-PROPERTY RELATIONSHIPS; NONLINEAR-OPTICAL PROPERTIES; 2ND-ORDER NLO; POLAR OXIDES; GENERATION; ACCEPTOR; ENHANCEMENT; LUMINESCENT;
D O I
10.1142/S1793604715500290
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A novel non-centrosymmetric (NCS) orthorhombic complex Zr(dmpu)(2)Cl-4 (1) has been solvothermally prepared in situ from starting materials of Zirconium(IV) acetylacetonate (Zr(acac)(4)) and N, N-dimethylpropyleneurea (dmpu), in which dmpu can act not only as solvent but also as organic ligand of monodentate oxygen donor. The second-harmonic generation (SHG) measurements reveal that complex 1 has a strong response of 1.4 times that of potassium dihydrogen phosphate (KDP) at 532 nm based on the Kurtz-Perry method. Furthermore, optical transmission study indicates that complex 1 has a wide transparency range in the UV region (200-850 nm) with a cutoff at 291 nm. According to first-principles calculations, the enhanced macroscopic SHG response of 1 can be attributed to the organic ligand dmpu. Therefore, 1 could be a promising candidate for non-linear optical material.
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页数:4
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