کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5400506 | 1505917 | 2013 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The photophysics, crystal and electronic structures of some novel benzene-linked bisimidazole compounds
ترجمه فارسی عنوان
ساختارهای فوتوفیزیک، کریستال و الکترونیک برخی از ترکیبات بنزن مرتبط با بیسیمیدازول
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
چکیده انگلیسی
Several novel disubstituted benzene-bridged bisimidazole derivatives (3a-3h) were prepared and characterized. Their optical properties, crystal structures and quantum chemical calculations were also investigated. The UV-vis spectra observed (λAbsmax: 325-348 nm) in acetonitrile showed low optical band gaps (Egopt: 2.89-3.25 eV). All these compounds display strong fluorescence in solution with emission spectra (λEmmax: 389.5-418 nm) (fluorescence quantum yield in the range 0.46-0.95) and significant Stokes shift (3670-5490 cmâ1). The single crystal structures of 3h solvates were presented and discussed. The space groups of 3h solvates (3h1: 3h·2H2O and 3h2: 3h·DMSO·2H2O) were C2/c and P21/c, respectively. Quantum chemical calculations using DFT B3LYP/6-31G(d) showed obvious difference in LUMO (â1.273 to â1.715 eV) and HOMO (â4.838 to â5.296 eV) while they were similar in Egcal (3.393-3.599 eV) values of these compounds. These results demonstrate that these novel disubstituted benzene-bridged bisimidazole derivatives are promising electron-transporting electro luminescent materials and blue-light emitting materials for OLED.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Luminescence - Volume 143, November 2013, Pages 566-573
Journal: Journal of Luminescence - Volume 143, November 2013, Pages 566-573
نویسندگان
Guangliang Song, Guangke He, Shifan Wang, Hongjun Zhu,