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- W2088404724 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) $_{n}^{3+}$ cations and deprotonated (BTC) $_{n}^{3-}$ anions. The maximum of the fluorescent emission bands of 1 is located at 427 nm (λ 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." @default.
- W2088404724 created "2016-06-24" @default.
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- W2088404724 date "2011-09-01" @default.
- W2088404724 modified "2023-09-30" @default.
- W2088404724 title "Solvothermal synthesis and theoretical study of a polypyridium trimesylate adduct" @default.
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- W2088404724 doi "https://doi.org/10.1007/s12039-011-0126-z" @default.
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