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    • Keywords

       

      𝑁-heterocyclic adduct; solvothermal synthesis; spectroscopy; DFT.

    • Abstract

       

      The title compound (C9H3O6·C20H17N4)4·0.5H2O 1 was isolated from solvothermal synthesis of 4'-(4-pyridyl)-2,2':6',2'-terpyridine (pytpy) and trimesic acid (1,3,5-benzenetricarboxylic acid, H3BTC). It was characterized by element analysis, IR, TGA, XRD, X-ray single-crystal diffraction, and spectroscopy properties, together with quantum chemistry calculation of spectrum (UV-vis spectra) through the method b3lyp/6-31 t g (d,p) are also investigated. Single-crystal X-ray diffraction shows 1 possesses a 3-D supramolecular network with 1-D six-fold helical double chains built from protonated (H3pytpy)$^{3+}_n$ cations and deprotonated (BTC)$^{3−}_n$ anions. The maximum of the fluorescent emission bands of 1 is located at 427 nm ($\lambda_{\text{ex}}$ = 266 nm), with a shoulder at about 390 nm. The result of theoretic calculations confirms that 1 has small HOMO-LUMO energy gap (1.24 eV) and high chemical reactivity.

    • Author Affiliations

       

      Yulan Zhu1 2 Feng Ma1 2 Kuirong Ma1 Li Cao1 Lianhua Zhao2

      1. Jiangsu Key Laboratory for Chemistry of Low-dimensional Materials, School of Chemistry and Chemical Engineering, Huaiyin Normal University, Huai’an 223300, P R China
      2. Department of Chemistry, Science College, Yanbian University, Yanji 133002, P R China
    • Dates

       
    • Supplementary Material

       
  • Journal of Chemical Sciences | News

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