کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1252123 | 1496002 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
IR spectroscopic studies on the transmission of substituent effects to carbonyl and thiocarbonyl stretching frequencies in 4-substituted phenyl-4,5-dihydrobenzo [f] [1,4] oxazepin-3 (2H)-ones (thiones)
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Single and dual substituent correlation analysis were applied to study transmission of substituent effects on IR carbonyl and thiocarbonyl stretching frequencies of 4-substituted phenyl-4,5-dihydrobenzo [f] [1,4] oxazepin-3 (2H)-ones (5a–n) and -thiones (6a–n). The substituent effects were estimated on the basis of results of the statistical analysis. The differences among the regression coefficients were discussed in terms of the relative importance of the substituent field and resonance effects. For a better understanding of the results, density functional theory (DFT) calculations were performed to determine the preferred geometry and to calculate the theoretical carbonyl and thiocarbonyl stretching frequencies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vibrational Spectroscopy - Volume 50, Issue 2, 20 July 2009, Pages 307–311
Journal: Vibrational Spectroscopy - Volume 50, Issue 2, 20 July 2009, Pages 307–311
نویسندگان
Hikmet Agirbas, Berat Kemal, Seda Sagdinc, Sevim Bilgic,