کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9770184 | 1501941 | 2005 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structure and barrier to internal rotation of 4-methylstyrene in the S0- and S1-state
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The rotationally resolved spectrum of the electronic origin of methylstyrene has been studied in order to obtain the geometric structure and the barriers to methyl torsion in the electronic ground and excited state. The spectrum has been analyzed using an automated assignment based on the Genetic Algorithm. The geometry is found to be quinoidally distorted upon electronic excitation, what is typical for para-disubstituted aromatic compounds. The V3 and V6 barriers and the torsional constant F for both electronic states have been determined from a combined fit of low resolution torsional bands and high resolution torsionally perturbed rovibronic spectrum.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 742, Issues 1â3, 24 May 2005, Pages 123-130
Journal: Journal of Molecular Structure - Volume 742, Issues 1â3, 24 May 2005, Pages 123-130
نویسندگان
Michael Schmitt, Christian Ratzer, Christoph Jacoby, W. Leo Meerts,