کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1409841 | 1501836 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Experimental and theoretical study for substituent effects of three 2-bromothiophene derivatives
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The electronic structure and substituent effects (SEs) in 2-bromo-5-chlorothiophene, 2-bromo-5-methylthiophene, and 2-bromo-5-nitrothiophene have been investigated by HeI photoelectron spectroscopy (PES). The observed PES bands were analyzed by combining empirical arguments and theoretical methods. The outermost electrons of the three compounds all reside mainly in thiophene ring. The analysis of electronic effects of the donor or acceptor substituent groups is essential for the reliable assignment of the observed photoelectron spectra. The investigation of Ï- and n-orbital ionization potentials has enabled us to describe the substituent effects and the relative reactivities. Furthermore, the natural bond orbital (NBO) analysis was applied for better understanding the nature of the intermolecular interaction.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 978, Issues 1â3, 20 August 2010, Pages 108-113
Journal: Journal of Molecular Structure - Volume 978, Issues 1â3, 20 August 2010, Pages 108-113
نویسندگان
Shengrui Tong, Chunping Ma, Maofa Ge, Weigang Wang, Dianxun Wang,