Structure and spectroscopy of two new bases for building block: Terpyridine derivatives

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• 作者：Dominique Toledo^a ; Ricardo Baggio^b ; Eleonora Freire^b ; ^c ; André ; s Vega^d ; Nancy Pizarro^e ; Yanko Moreno^d ; ^{yanko.moreno@unab.cl" class="auth_mail" title="E-mail the corresponding author}
• 关键词：Molecular structure ; Fluorescence ; Terpyridine ; TDDFT analysis
• 刊名：Journal of Molecular Structure
• 出版年：2015
• 出版时间：15 December 2015
• 年：2015
• 卷：1102
• 期：Complete
• 页码：18-24
• 全文大小：1630 K

文摘

Two new terpyridine compounds are reported: 4′-(3-methyl-2-thienyl)-4,2′:6′,4″-terpyridine, C₂₀H₁₅N₃S, (I) and 4′-(4-quinolinyl)-4,2′:6′,4″-terpyridine, C₂₅H₁₇C_l3N₄, (II). Both structures crystallize in centrosymmetric space groups and present weak H-bonds, which gives greater stability to their structures. Light absorption by both molecules is firmly established on the experimental and the TDDFT analysis as coming from 蟺 → 蟺* transitions. The fluorescence of both compounds has a small Stockes shift, which is also consistent with the emission from highly rigid molecules. Furthermore, the thermal stability observed for both compounds, until about 280 °C, making these molecules interesting candidates for use as complex ligands, which are obtained by means of solvothermal synthesis (technique with temperatures of about 150 °C).