کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9586132 | 1505937 | 2005 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical investigation of stokes shift of 3,4-diaryl-substituted maleimide fluorophores
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
According to the experimental data, a new type of fluorophores based on 3,4-diaryl substituted maleimide compounds was found to exhibit moderate to large Stokes shift. This large Stokes shift is assumed to be the consequence of a substantial change of the geometric structure from the ground state (S0) to the first excited state (S1). In this study, the hypothesis is examined by the computational methods. The semiempirical AM1 and the density functional computational methods were used to generate the ground and the excited state structures of maleimide and its derivatives. The absorption and emission energies of maleimide derivatives were obtained by the semiempirical ZINDO method. The calculated Stokes shift (ÎE) is related to the difference between the absorption and emission energies. The theoretical calculations confirmed that the magnitude of the Stokes shift is parallel to a change of the molecular structure from non-planar in the S0 ground state to more planar in the S1 excited state. The calculated absorption and emission energies and related Stokes shift agree well with the experimental results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Luminescence - Volume 113, Issues 3â4, June 2005, Pages 321-328
Journal: Journal of Luminescence - Volume 113, Issues 3â4, June 2005, Pages 321-328
نویسندگان
Bo-Cheng Wang, Hsien-Ren Liao, Hsiu-Chih Yeh, Wei-Ching Wu, Chin-Ti Chen,