کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1410469 | 1501869 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Sulfur tetrafluoride methylimide, CH3NSF4: Vibrational spectra and quantum chemical calculations
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
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چکیده انگلیسی
Infrared (gas) and Raman (liquid) spectra of sulfur tetrafluoride methylimide, CH3NSF4, were recorded and interpreted. Structural, vibrational and configurational properties were derived from quantum chemical calculations [HF, MP2 and B3LYP methods with 6-311+G(2df,p) basis sets]. The assignment of the normal modes of vibrations was carried out by comparison with analogous molecules and with calculated frequencies and intensities. All theoretical approaches predict the existence of a unique form in the fluid phases which possesses CS symmetry, in good agreement with experimental results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 919, Issues 1â3, 17 February 2009, Pages 343-347
Journal: Journal of Molecular Structure - Volume 919, Issues 1â3, 17 February 2009, Pages 343-347
نویسندگان
Ana G. Iriarte, Edgardo H. Cutin, Rosa M.S. Álvarez, Rüdiger Mews, Heinz Oberhammer,