Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation

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• 作者：Daniel Lumpi ; Florian Gl枚cklhofer ; Brigitte Holzer ; Berthold St枚ger ; Christian Hametner ; Georg A. Reider ; Johannes Fr枚hlich
• 刊名：Crystal Growth & Design
• 出版年：2014
• 出版时间：March 5, 2014
• 年：2014
• 卷：14
• 期：3
• 页码：1018-1031
• 全文大小：590K
• 年卷期：v.14,no.3(March 5, 2014)
• ISSN：1528-7505

文摘

1,2,3-Triazole-functionalized ene鈥搚ne compounds, synthesized by thiophene (selenophene) ring fragmentation followed by azide鈥揳lkyne cycloaddition, were investigated as a basis for nonlinear optical (NLO) materials capable of second harmonic generation (SHG). The structure鈥損roperty relationship was mapped by systematic variation of the molecular scaffold, viz., elongation of the alkyl groups, isomerizations of both the double bond as well as the triazole moiety, sulfur oxidations, and a sulfur鈥搒elenium exchange. Nine novel molecular compounds were synthesized, of which eight are solids at room temperature. The latter were characterized by single-crystal X-ray diffraction (XRD). Five crystal structures lacked of inversion symmetry, a prerequisite for NLO activity. The corresponding materials were examined regarding SHG, UV鈥搗is absorption, and powder XRD. By substituting S for Se, we were able to increase the SH intensity by a factor of 20. On the basis of the results, we propose a strategy to further improve the SHG efficiency of this class of materials.