کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1411091 | 1501841 | 2010 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The shape of perfluorobutyryl fluoride, C3F7COF, in the gas phase
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The pure rotational spectrum of perfluorobutyryl fluoride, C3F7COF, was measured using a pulsed nozzle, chirped pulse Fourier transform microwave spectrometer. A total of 280 transitions for the only observed conformer were recorded and analyzed. The rotational constants are A = 1397.4330(1) MHz, B = 619.17456(8) MHz, and C = 592.06831(8) MHz. Quantum chemical calculations and the spectral analysis indicate that the observed conformer is the skew–anti form with calculated dihedral angles ∠∠CCCO = 120°, and ∠∠CCCC ≈ 170°. Conformational differences between perfluorobutyryl fluoride, perfluorobutyryl chloride, butyryl fluoride and butyryl chloride are discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 973, Issues 1–3, 2 June 2010, Pages 190–193
Journal: Journal of Molecular Structure - Volume 973, Issues 1–3, 2 June 2010, Pages 190–193
نویسندگان
G.S. Grubbs II, C.T. Dewberry, S.A. Cooke, Wei Lin,