کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376900 | 1504331 | 2006 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A model two-dimensional potential for internal rotation of 9-methylanthracene studied by electronic spectroscopy and DFT calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: A model two-dimensional potential for internal rotation of 9-methylanthracene studied by electronic spectroscopy and DFT calculations A model two-dimensional potential for internal rotation of 9-methylanthracene studied by electronic spectroscopy and DFT calculations](/preview/png/5376900.png)
چکیده انگلیسی
The S1-S0 fluorescence excitation and dispersed fluorescence spectra of 9-methylanthracene are measured in a supersonic free jet expansion. Several low-frequency bands assigned to the transitions between the internal rotational levels of the methyl group can not be fitted to the calculated energy levels obtained by the one-dimensional rotor model. We have introduced a two-dimensional model incorporating the coupling of the methyl rotation and an out-of-plane bending motion of the anthracene ring. The calculations based on this model reproduce the intensity distributions in the fluorescence excitation and dispersed fluorescence spectra as well as the frequencies of the internal rotational levels in the S0 and S1 state.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 328, Issues 1â3, 29 September 2006, Pages 190-196
Journal: Chemical Physics - Volume 328, Issues 1â3, 29 September 2006, Pages 190-196
نویسندگان
Masayuki Nakagaki, Eriko Nishi, Kenji Sakota, Haruyuki Nakano, Hiroshi Sekiya,