کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5415434 1393757 2010 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Rotational spectrum of trifluoroacetone
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Rotational spectrum of trifluoroacetone
چکیده انگلیسی
The rotational spectra of 5 isotopologues of 1,1,1-trifluoroacetone have been assigned using pulsed-jet Fourier-transform microwave spectroscopy. All rotational transitions appear as doublets, due to the internal rotation of the methyl group. Analysis of the tunneling splittings using both the principal axis method (PAM) and the combined axis method (CAM) methods allows to determine accurately the height of the threefold barrier to internal rotation of the methyl group, and its orientation, leading to V3 = 3.28 and 3.10 kJ mol−1, respectively. The rs geometry of the molecular skeleton, a partial r0 structure of the molecule and supporting ab initio calculations are also reported.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 259, Issue 2, February 2010, Pages 65-69
نویسندگان
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