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
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Sulfur tetrafluoride methylimide, CH3NSF4: Vibrational spectra and quantum chemical calculations
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 1–3, 17 February 2009, Pages 343-347
نویسندگان
, , , , ,